4-(4-methoxyphenyl)-4-phenylpiperidine hydrochloride

• ChemBase ID: 76308
• Molecular Formular: C18H22ClNO
• Molecular Mass: 303.82638
• Monoisotopic Mass: 303.13899201
• SMILES: N1CCC(c2ccc(cc2)OC)(c2ccccc2)CC1.Cl
• Canonical SMILES: COc1ccc(cc1)C1(CCNCC1)c1ccccc1.Cl
• InChI: InChI=1S/C18H21NO.ClH/c1-20-17-9-7-16(8-10-17)18(11-13-19-14-12-18)15-5-3-2-4-6-15;/h2-10,19H,11-14H2,1H3;1H
• InChIKey: MGWUZDMSYPMJOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03840116
• PubChem SID: 162041214
• PubChem CID: 17749782

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.13310398
• LogD (pH = 7.4): 0.7988202
• Log P: 3.3544905
• Molar Refractivity: 93.0067 cm^3
• Polarizability: 32.418427 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true