(1s,4s)-4-[2-(4-fluorophenyl)piperidine-1-carbonyl]cyclohexan-1-ol

• ChemBase ID: 463218
• Molecular Formular: C18H24FNO2
• Molecular Mass: 305.3870632
• Monoisotopic Mass: 305.17910723
• SMILES: N1(C(=O)[C@@H]2CC[C@@H](CC2)O)C(c2ccc(cc2)F)CCCC1
• Canonical SMILES: O[C@@H]1CC[C@@H](CC1)C(=O)N1CCCCC1c1ccc(cc1)F
• InChI: InChI=1S/C18H24FNO2/c19-15-8-4-13(5-9-15)17-3-1-2-12-20(17)18(22)14-6-10-16(21)11-7-14/h4-5,8-9,14,16-17,21H,1-3,6-7,10-12H2/t14-,16+,17?
• InChIKey: GWXQQGSKYAODGJ-JGHJKYEYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1s,4s)-4-[2-(4-fluorophenyl)piperidine-1-carbonyl]cyclohexan-1-ol
• IUPAC Traditional name: (1s,4s)-4-[2-(4-fluorophenyl)piperidine-1-carbonyl]cyclohexan-1-ol
• Synonyms: cis-4-{[2-(4-fluorophenyl)-1-piperidinyl]carbonyl}cyclohexanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.15645
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9211538
• LogD (pH = 7.4): 2.9211557
• Log P: 2.9211557
• Molar Refractivity: 83.7722 cm^3
• Polarizability: 32.456833 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.7
• LOG S: -3.73
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2