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Home> Hot Product Listed T   > T0505-6647
263139-27-1 structure

T0505-6647

Iupac Name:4-piperidin-4-ylphenol;hydrochloride
CAS No.:263139-27-1
Molecular Weight:213.705
Molecular Formula:C16H25N3O3S (isomer)
Names and Identifiers
Synonyms

AC1N5R8Q AKOS001013302 ethyl 3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-(ethylamino)benzoate ethyl 3-[4-(azepane-1-sulfonyl)benzamido]-4-(ethylamino)benzoate MCULE-2162884333 MOLPORT-009-218-634 OPREA1_200607 Z56806007 ZINC9096863

Inchi
InChI=1S/C11H15NO.ClH/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10;/h1-4,10,12-13H,5-8H2;1H
InChkey
DGUWALWRCOPUBK-UHFFFAOYSA-N
Canonical Smiles
C1CNCCC1C2=CC=C(C=C2)O.Cl
Computational chemical data
  • Molecular Weight:213.705g/mol
  • Molecular Formula:C16H25N3O3S
  • Compound Is Canonicalized:True
  • Exact Mass:213.092
  • Monoisotopic Mass:213.092
  • Complexity:146
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:32.3A^2
  • Heavy Atom Count:14
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADceByIAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAQCAAADQTBmAQwBoLAAgCA AiBCAAACAAAgIAAIiIAOCIgIJiKCkRKEcAAk0BGImAeQwPAOoAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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