1-benzyl-4-phenylpiperidine-4-carboxylic acid

• ChemBase ID: 306535
• Molecular Formular: C19H21NO2
• Molecular Mass: 295.37554
• Monoisotopic Mass: 295.15722892
• SMILES: C1(C(=O)O)(CCN(CC1)Cc1ccccc1)c1ccccc1
• Canonical SMILES: OC(=O)C1(CCN(CC1)Cc1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H21NO2/c21-18(22)19(17-9-5-2-6-10-17)11-13-20(14-12-19)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,21,22)
• InChIKey: RYTBNRKHWAWLPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-phenylpiperidine-4-carboxylic acid
• IUPAC Traditional name: 1-benzyl-4-phenylpiperidine-4-carboxylic acid
• Synonyms: 1-benzyl-4-phenylpiperidine-4-carboxylic acid

Database IDs

• CAS Number: 61886-17-7
• MDL Number: MFCD00071791

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9370169
• LogD (pH = 7.4): 0.94479734
• Log P: 0.9464175
• Molar Refractivity: 87.5786 cm^3
• Polarizability: 34.13093 Å^3
• Polar Surface Area: 40.54 Å^2