3-benzoylpiperidine hydrochloride

• ChemBase ID: 310242
• Molecular Formular: C12H16ClNO
• Molecular Mass: 225.71454
• Monoisotopic Mass: 225.09204182
• SMILES: C(=O)(C1CNCCC1)c1ccccc1.Cl
• Canonical SMILES: O=C(c1ccccc1)C1CCCNC1.Cl
• InChI: InChI=1S/C12H15NO.ClH/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11;/h1-3,5-6,11,13H,4,7-9H2;1H
• InChIKey: MNODEQCNDLADAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzoylpiperidine hydrochloride
• IUPAC Traditional name: 3-benzoylpiperidine hydrochloride
• Synonyms: phenyl(3-piperidinyl)methanone hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.37268
• LogD (pH = 7.4): -0.2289798
• Log P: 1.7903787
• Molar Refractivity: 56.7384 cm^3
• Polarizability: 22.24009 Å^3
• Polar Surface Area: 29.1 Å^2