(1-benzyl-4-phenylpiperidin-4-yl)methanamine

• ChemBase ID: 306533
• Molecular Formular: C19H24N2
• Molecular Mass: 280.40726
• Monoisotopic Mass: 280.19394878
• SMILES: C1(CCN(Cc2ccccc2)CC1)(c1ccccc1)CN
• Canonical SMILES: NCC1(CCN(CC1)Cc1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H24N2/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10H,11-16,20H2
• InChIKey: KNLXJOKXXMNECJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzyl-4-phenylpiperidin-4-yl)methanamine
• IUPAC Traditional name: (1-benzyl-4-phenylpiperidin-4-yl)methanamine
• Synonyms: 1-(1-benzyl-4-phenylpiperidin-4-yl)methanamine

Database IDs

• CAS Number: 84176-77-2
• MDL Number: MFCD03445314

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2780654
• LogD (pH = 7.4): -1.0586275
• Log P: 3.0982258
• Molar Refractivity: 89.2936 cm^3
• Polarizability: 35.16014 Å^3
• Polar Surface Area: 29.26 Å^2