3-(3,3-diphenylpiperidine-1-carbonyl)pyridin-2-ol

• ChemBase ID: 354789
• Molecular Formular: C23H22N2O2
• Molecular Mass: 358.43298
• Monoisotopic Mass: 358.16812795
• SMILES: C(=O)(N1CC(c2ccccc2)(c2ccccc2)CCC1)c1c(nccc1)O
• Canonical SMILES: Oc1ncccc1C(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H22N2O2/c26-21-20(13-7-15-24-21)22(27)25-16-8-14-23(17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-7,9-13,15H,8,14,16-17H2,(H,24,26)
• InChIKey: ORDBSSZZPLLWDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.017069
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.8553743
• LogD (pH = 7.4): 4.8543725
• Log P: 4.855406
• Molar Refractivity: 116.7634 cm^3
• Polarizability: 40.545845 Å^3
• Polar Surface Area: 53.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.67
• LOG S: -5.86
• Polar Surface Area: 53.43 Å^2
• Rotatable Bonds: 3