1-(1-benzyl-4-phenylpiperidine-4-carbonyl)azetidin-3-ol

• ChemBase ID: 625016
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: N1(C(=O)C2(CCN(CC2)Cc2ccccc2)c2ccccc2)CC(C1)O
• Canonical SMILES: OC1CN(C1)C(=O)C1(CCN(CC1)Cc1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H26N2O2/c25-20-16-24(17-20)21(26)22(19-9-5-2-6-10-19)11-13-23(14-12-22)15-18-7-3-1-4-8-18/h1-10,20,25H,11-17H2
• InChIKey: SBKSVTYZULXEPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzyl-4-phenylpiperidine-4-carbonyl)azetidin-3-ol
• IUPAC Traditional name: 1-(1-benzyl-4-phenylpiperidine-4-carbonyl)azetidin-3-ol
• Synonyms: 1-[(1-benzyl-4-phenyl-4-piperidinyl)carbonyl]-3-azetidinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.755759
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.70666677
• LogD (pH = 7.4): 0.86527437
• Log P: 2.5161211
• Molar Refractivity: 103.1877 cm^3
• Polarizability: 40.241283 Å^3
• Polar Surface Area: 43.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.88
• LOG S: -3.36
• Polar Surface Area: 43.78 Å^2
• Rotatable Bonds: 4