N-[4-(difluoromethoxy)phenyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide

• ChemBase ID: 468365
• Molecular Formular: C19H20F2N2O3
• Molecular Mass: 362.3705064
• Monoisotopic Mass: 362.14419895
• SMILES: C(=O)(N1CCC(CC1)(c1ccccc1)O)Nc1ccc(OC(F)F)cc1
• Canonical SMILES: FC(Oc1ccc(cc1)NC(=O)N1CCC(CC1)(O)c1ccccc1)F
• InChI: InChI=1S/C19H20F2N2O3/c20-17(21)26-16-8-6-15(7-9-16)22-18(24)23-12-10-19(25,11-13-23)14-4-2-1-3-5-14/h1-9,17,25H,10-13H2,(H,22,24)
• InChIKey: XJKGVQJODXPPPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(difluoromethoxy)phenyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: N-[4-(difluoromethoxy)phenyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide
• Synonyms: N-[4-(difluoromethoxy)phenyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.614687
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.060151
• LogD (pH = 7.4): 3.0601509
• Log P: 3.060151
• Molar Refractivity: 94.0897 cm^3
• Polarizability: 35.183083 Å^3
• Polar Surface Area: 61.8 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 2
• Log P: 2.27
• LOG S: -3.78
• Polar Surface Area: 61.8 Å^2