CAS 25519-80-6|Phenyl(piperidin-4-yl)methanone hydrochloride|4-benzoylpiperidine hydrochloride|4-Benzoylpiperidine hydrochloride|4-benzoylpiperidine hydrochloride|phenyl(4-piperidyl)methanone hydroc...

General Information

Structure

Molecular Formula

C₁₂H₁₆ClNO

Molecular Mass

225.71454

Exact Mass

225.09204182

Charge

InChI

InChI=1S/C12H15NO.ClH/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11;/h1-5,11,13H,6-9H2;1H

InChIKey

NXYKIFZJQXOUJS-UHFFFAOYSA-N

Canonic Smiles

O=C(c1ccccc1)C1CCNCC1.Cl

Isomeric Smiles

N1CCC(C(=O)c2ccccc2)CC1.Cl

Calculated Properties

JChem

Acid pKa

16.597427

H Acceptors

H Donor

LogD (pH = 5.5)

-1.5875865

LogD (pH = 7.4)

-0.9328064

Log P

1.6344712

Molar Refractivity

56.8924

Polarizability

22.240158

Polar Surface Area

29.1

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Phenyl(piperidin-4-yl)methanone hydrochloride4-Benzoylpiperidine hydrochloridephenyl(4-piperidyl)methanone hydrochloride4-苯甲酰哌啶盐酸盐4-Benzoylpiperidine hydrochloridePhenyl(piperidin-4-yl)methanone hydrochloridePhenyl 4-Piperidyl Ketone Hydrochloride

IUPAC name

4-benzoylpiperidine hydrochloride

IUPAC Traditional name

4-benzoylpiperidine hydrochloride

Names and Identifiers

Registration numbers

CAS Number

25519-80-6

PubChem CID

2724437

PubChem SID

162073251