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Piperidine, 4-[2-(diphenylmethoxy)ethyl]- structure
Piperidine, 4-[2-(diphenylmethoxy)ethyl]- structure

Piperidine, 4-[2-(diphenylmethoxy)ethyl]-

Iupac Name:4-chloro-6-fluoroquinoline
CAS No.:391-77-5
Molecular Weight:181.594
1. Names and Identifiers
1.1 Name
Piperidine, 4-[2-(diphenylmethoxy)ethyl]-
1.2 CAS No.
391-77-5
1.3 CID
2736586
1.4 Molecular Formula
C16H13FN4O2 (isomer)
1.5 Inchi
InChI=1S/C9H5ClFN/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H
1.6 InChkey
CKTQPWIDUQGUGG-UHFFFAOYSA-N
1.7 Canonical Smiles
C1=CC2=NC=CC(=C2C=C1F)Cl
1.8 Isomers Smiles
C1=CC2=NC=CC(=C2C=C1F)Cl
2. 3D Conformer
3. Properties
3.1 Melting Point
75.0 to 79.0 deg-C
3.2 Refractive Index
1.626
4. Safety and Handling
4.1 Risk Statements
22-41-37/38
5. Computational chemical data
  • Molecular Weight:181.594g/mol
  • Molecular Formula:C16H13FN4O2
  • Compound Is Canonicalized:True
  • Exact Mass:181.009
  • Monoisotopic Mass:181.009
  • Complexity:165
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:12.9A^2
  • Heavy Atom Count:12
  • 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: AAADcYByAQAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHQIAAAAADArBHiw8wPIIEACg AzRnRACCgCAxByAI2CA4ZpgIIOLBk5GEIAhggADIyAcQgIAOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
6. Similar Structures Products
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