4-(4-methylphenyl)-4-phenylpiperidine hydrochloride

• ChemBase ID: 76310
• Molecular Formular: C18H22ClN
• Molecular Mass: 287.82698
• Monoisotopic Mass: 287.14407739
• SMILES: N1CCC(c2ccc(cc2)C)(c2ccccc2)CC1.Cl
• Canonical SMILES: Cc1ccc(cc1)C1(CCNCC1)c1ccccc1.Cl
• InChI: InChI=1S/C18H21N.ClH/c1-15-7-9-17(10-8-15)18(11-13-19-14-12-18)16-5-3-2-4-6-16;/h2-10,19H,11-14H2,1H3;1H
• InChIKey: OFEQNJRGUCKQJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03840119
• PubChem SID: 162041216
• PubChem CID: 17749785

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.80436856
• LogD (pH = 7.4): 1.4728389
• Log P: 4.0255833
• Molar Refractivity: 91.5847 cm^3
• Polarizability: 31.717934 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true