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Home> Encyclopedia >   /  Inorganic Chemicals  /  Organic Intermediates  /  Pharmaceuticals and Biochemicals  /  Pharmaceuticals and Biochemicals  /  Pharmaceuticals and Biochemicals
5382-16-1 structure

4-Hydroxypiperidine

Iupac Name:piperidin-4-ol
CAS No.:5382-16-1
EINECS(EC#): 226-373-1
Molecular Weight:101.149
Molecular Formula:C5H11NO (isomer)
1. Names and Identifiers
1.1 Synonyms

126077-EP2269993A1 126077-EP2295436A1 4- hydroxypiperidine 4-hydroxy piperidine 4-hydroxypiperadine 4-hydroxypiperdine 4-hydroxypiperi dine 4-hydroxypiperidin 4-hydroxy-piperidin 4-hydroxy-piperidine 4-Hydroxypiperidine 98% 4-Hydroxypiperidine base 4-hydroxypiperidine, 98% 4-Hydroxypiperidine, 99+% 4-hydroxypiperidine, vetec(tm) reagent grade, 98% 4-Hydroxypiperidine/4-Piperidinol 4-HYDROXYPIPERIDINE=4-PIPERIDIOL 4-Hydroxypipertidine 4-hyroxypiperidine 4-piperidinol 4-piperidinol 1-hydroxy-2 2 6 6-tetramethyl- 4-piperidinol (4-hydroxypiperidine) 4PPOL 65299-EP2275404A1 65299-EP2286811A1 65299-EP2287165A2 65299-EP2287166A2 65299-EP2292620A2 65299-EP2305644A1 65299-EP2308812A2 74104-EP2275413A1 74104-EP2287156A1 74104-EP2287165A2 74104-EP2287166A2 74104-EP2292620A2 74104-EP2295411A1 74104-EP2308869A1 A25068 AB0006753 AB00514380-02 AC1Q7AQ1 AC1Q7AQ2 AC1Q7AQ3 AC-22474 ACMC-20AITC ACN-S003609 ai3-39158 AJ-20477 AKOS000121349 AM20100322 AURORA KA-1006 AZ0001-0021 BB_SC-2766 BBL027555 BC274718 BP-12340 BR-46522 C-4571 CH0057 CHEMBL284022 DB-006842 DTXSID10202098 einecs 226-373-1 F2190-0330 FC0491 FT-0601220 GEO-01554 HDOWRFHMPULYOA-UHFFFAOYSA-N HMS1789F08 HYDROXYPIPERIDINE(4-) I12-0051 KB-59698 LF-0532 LS20318 MCULE-4216905638 mfcd00005999 MOLPORT-001-770-948 N-(4-Chiorobenzyl)-4-piperidone N-(4-Chiorobenzyl)-piperidonel nsc62083 nsc-62083 piperdine-4-ol piperid-4-ol piperidin-4-ol piperidine-4-ol PUBCHEM6780 Q-101535 RP18750 RTC-062138 SBB027346 SC-05165 SCHEMBL5130 ST2411599 ST51047723 STK802180 TC-062138 TL806407 TRA0063127 Z56347197 ZINC388185 zlc0254 ZLCHEM 401

1.2 Inchi
InChI=1S/C5H11NO/c7-5-1-3-6-4-2-5/h5-7H,1-4H2
1.3 InChkey
HDOWRFHMPULYOA-UHFFFAOYSA-N
1.4 Canonical Smiles
C1CNCCC1O
2. 3D Conformer
3. Properties
3.1 Appearance
yellow to yellow-orange wet solid
3.2 Density
108
3.3 Melting Point
86-90℃
3.4 Boiling Point
108-114℃ (10 mmHg)
3.5 Flash Point
107℃
3.6 Solubility
soluble in water
3.7 Stability
No data.
3.7 Stability
3.8 HS Code
29333999
3.9 Storage temp
Store in a cool, dry place. Store in a tightly closed container.
4. Safety and Handling
4.1 Hazard Codes
Xi
4.2 Risk Statements
R36/37/38
4.3 Safety Statements
S26;S37/39
4.4 HazardClass
8
4.4 PackingGroup
III
4.5 Sensitive
Hygroscopic
4.6 Transport
UN 2811
4.7 Specification

The IUPAC name of?4-Hydroxypiperidine is?piperidin-4-ol. With the?CAS registry number 5382-16-1, it is also named?as?4-Piperidinol;?NSC 62083;?AI3-39158.?The product's categories are?alcohols and derivatives, amines and anilines, piperidines, piperidones, piperazines, pyrans, piperidines & piperazines, piperidine, heterocyclic compounds and pyrans and?piperidines & piperazines. It is?yellow to yellow-orange wet solid?which is soluble in water.

The other characteristics of this product can be summarized as:?(1)ACD/LogP: -0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.61; (4)ACD/LogD (pH 7.4): -3.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.474; (13)Molar Refractivity: 27.99 cm3; (14)Molar Volume: 99.4 cm3; (15)Polarizability: 11.09×10-24 cm3; (16)Surface Tension: 33.7 dyne/cm; (17)Enthalpy of Vaporization: 53.31 kJ/mol; (18)Vapour Pressure: 0.0214 mmHg at 25°C; (19)Exact Mass: 101.084064; (20)MonoIsotopic Mass: 101.084064; (21)Topological Polar Surface Area: 32.3; (22)Heavy Atom Count: 7.

Uses of?4-Hydroxypiperidine: 1. It can react with?2-bromomethyl-[1,3]dioxolane?to get?1-(1,3-dioxolan-2-ylmethyl)-4-piperidinol.?This reaction needs reagent?K2CO3 and solvent?acetonitrile?by heating. The reaction time is?15 hours. The yield is 83.5%.



2. It also reacts with?4-chloromethyl-[1,3]dioxolane?to obtain?1-[1,3]dioxolan-4-ylmethyl-piperidin-4-ol.?This reaction needs reagent K2CO3 and solvent acetonitrile by heating. The reaction time is 16?hours. The yield is 56.4%.

When you are using this chemical, please be cautious about it as the following:
It can causes burns.?And?it is irritating to eyes, respiratory system and skin.?In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?Take off immediately all contaminated clothing.?If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.?In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1.?SMILES: OC1CCNCC1;
2.?InChI: InChI=1/C5H11NO/c7-5-1-3-6-4-2-5/h5-7H,1-4H2.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

7. Synthesis Route
9. Computational chemical data
  • Molecular Weight:101.149g/mol
  • Molecular Formula:C5H11NO
  • Compound Is Canonicalized:True
  • Exact Mass:101.084
  • Monoisotopic Mass:101.084
  • Complexity:50
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:32.3A^2
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBiIAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQCAAACBThgAYAAALAAgAA AAAAAAAAAAAAAAAAAIAIAAAAEAIAgAAEQAACEACAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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