1-[3-(4-hydroxyphenyl)benzoyl]-4-phenylpiperidin-4-ol

• ChemBase ID: 770588
• Molecular Formular: C24H23NO3
• Molecular Mass: 373.44432
• Monoisotopic Mass: 373.1677936
• SMILES: C(=O)(N1CCC(CC1)(c1ccccc1)O)c1cc(c2ccc(cc2)O)ccc1
• Canonical SMILES: Oc1ccc(cc1)c1cccc(c1)C(=O)N1CCC(CC1)(O)c1ccccc1
• InChI: InChI=1S/C24H23NO3/c26-22-11-9-18(10-12-22)19-5-4-6-20(17-19)23(27)25-15-13-24(28,14-16-25)21-7-2-1-3-8-21/h1-12,17,26,28H,13-16H2
• InChIKey: MESLPBQHERMASR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(4-hydroxyphenyl)benzoyl]-4-phenylpiperidin-4-ol
• IUPAC Traditional name: 1-[3-(4-hydroxyphenyl)benzoyl]-4-phenylpiperidin-4-ol
• Synonyms: 1-[(4'-hydroxybiphenyl-3-yl)carbonyl]-4-phenylpiperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.861702
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.5811808
• LogD (pH = 7.4): 3.5797112
• Log P: 3.5811996
• Molar Refractivity: 110.2734 cm^3
• Polarizability: 43.426987 Å^3
• Polar Surface Area: 60.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.76
• LOG S: -3.7
• Polar Surface Area: 60.77 Å^2
• Rotatable Bonds: 3