2-(4-phenylpiperidin-1-yl)pyridin-3-amine

• ChemBase ID: 120787
• Molecular Formular: C16H19N3
• Molecular Mass: 253.34216
• Monoisotopic Mass: 253.15789762
• SMILES: N1(c2ncccc2N)CCC(CC1)c1ccccc1
• Canonical SMILES: Nc1cccnc1N1CCC(CC1)c1ccccc1
• InChI: InChI=1S/C16H19N3/c17-15-7-4-10-18-16(15)19-11-8-14(9-12-19)13-5-2-1-3-6-13/h1-7,10,14H,8-9,11-12,17H2
• InChIKey: SYNLRHKAAZZRKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylpiperidin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 2-(4-phenylpiperidin-1-yl)pyridin-3-amine
• Synonyms: 2-(4-phenylpiperidin-1-yl)pyridin-3-amine

Database IDs

• PubChem SID: 162215140
• PubChem CID: 98557

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6897587
• LogD (pH = 7.4): 2.758648
• Log P: 2.900338
• Molar Refractivity: 80.1292 cm^3
• Polarizability: 29.727104 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true