4-(4-chlorophenyl)-4-phenylpiperidine hydrochloride

• ChemBase ID: 76309
• Molecular Formular: C17H19Cl2N
• Molecular Mass: 308.24546
• Monoisotopic Mass: 307.08945497
• SMILES: N1CCC(c2ccc(cc2)Cl)(c2ccccc2)CC1.Cl
• Canonical SMILES: Clc1ccc(cc1)C1(CCNCC1)c1ccccc1.Cl
• InChI: InChI=1S/C17H18ClN.ClH/c18-16-8-6-15(7-9-16)17(10-12-19-13-11-17)14-4-2-1-3-5-14;/h1-9,19H,10-13H2;1H
• InChIKey: NVRAYISUJJCHFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chlorophenyl)-4-phenylpiperidine hydrochloride
• IUPAC Traditional name: 4-(4-chlorophenyl)-4-phenylpiperidine hydrochloride
• Synonyms: 4-(4-chlorophenyl)-4-phenylpiperidine hydrochloride

Database IDs

• MDL Number: MFCD03840117
• PubChem SID: 162041215
• PubChem CID: 17749783

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8959318
• LogD (pH = 7.4): 1.5791396
• Log P: 4.1162066
• Molar Refractivity: 91.3483 cm^3
• Polarizability: 31.735851 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true