3,3-diphenylpiperidine hydrochloride

• ChemBase ID: 76390
• Molecular Formular: C17H20ClN
• Molecular Mass: 273.8004
• Monoisotopic Mass: 273.12842733
• SMILES: N1CC(c2ccccc2)(c2ccccc2)CCC1.Cl
• Canonical SMILES: C1CCC(CN1)(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C17H19N.ClH/c1-3-8-15(9-4-1)17(12-7-13-18-14-17)16-10-5-2-6-11-16;/h1-6,8-11,18H,7,12-14H2;1H
• InChIKey: OKUKAYBAYQSEQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-diphenylpiperidine hydrochloride
• IUPAC Traditional name: 3,3-diphenylpiperidine hydrochloride
• Synonyms: 3,3-diphenylpiperidine hydrochloride

Database IDs

• MDL Number: MFCD04113618
• PubChem SID: 162041295
• PubChem CID: 17749764

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.45726156
• LogD (pH = 7.4): 1.2648612
• Log P: 3.6680694
• Molar Refractivity: 86.3895 cm^3
• Polarizability: 29.95221 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true