5-(3,3-diphenylpiperidine-1-carbonyl)pyridine-2,4-diol

• ChemBase ID: 823397
• Molecular Formular: C23H22N2O3
• Molecular Mass: 374.43238
• Monoisotopic Mass: 374.16304257
• SMILES: C(=O)(c1c(cc(nc1)O)O)N1CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: Oc1ncc(c(c1)O)C(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H22N2O3/c26-20-14-21(27)24-15-19(20)22(28)25-13-7-12-23(16-25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14-15H,7,12-13,16H2,(H2,24,26,27)
• InChIKey: ZXCVVOHPUCJFTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3,3-diphenylpiperidine-1-carbonyl)pyridine-2,4-diol
• IUPAC Traditional name: 5-(3,3-diphenylpiperidine-1-carbonyl)pyridine-2,4-diol
• Synonyms: 5-[(3,3-diphenylpiperidin-1-yl)carbonyl]pyridine-2,4-diol

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.804686
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.5516267
• LogD (pH = 7.4): 4.53544
• Log P: 4.5518403
• Molar Refractivity: 118.7443 cm^3
• Polarizability: 41.138126 Å^3
• Polar Surface Area: 73.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.03
• LOG S: -5.57
• Polar Surface Area: 73.66 Å^2
• Rotatable Bonds: 3