2-(3,3-diphenylpiperidine-1-carbonyl)pyridine

• ChemBase ID: 397508
• Molecular Formular: C23H22N2O
• Molecular Mass: 342.43358
• Monoisotopic Mass: 342.17321333
• SMILES: N1(C(=O)c2ncccc2)CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)(c1ccccc1)c1ccccc1)c1ccccn1
• InChI: InChI=1S/C23H22N2O/c26-22(21-14-7-8-16-24-21)25-17-9-15-23(18-25,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-8,10-14,16H,9,15,17-18H2
• InChIKey: UUASSBAXTYZCIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,3-diphenylpiperidine-1-carbonyl)pyridine
• IUPAC Traditional name: 2-(3,3-diphenylpiperidine-1-carbonyl)pyridine
• Synonyms: 2-[(3,3-diphenylpiperidin-1-yl)carbonyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3003483
• LogD (pH = 7.4): 4.3003635
• Log P: 4.300364
• Molar Refractivity: 114.097 cm^3
• Polarizability: 39.965874 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.59
• LOG S: -5.4
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3