(3S,4S)-4-(4-fluorophenyl)-1-(1H-indole-6-carbonyl)piperidin-3-ol

• ChemBase ID: 700810
• Molecular Formular: C20H19FN2O2
• Molecular Mass: 338.3754632
• Monoisotopic Mass: 338.14305608
• SMILES: N1(C(=O)c2cc3[nH]ccc3cc2)C[C@H]([C@@H](CC1)c1ccc(cc1)F)O
• Canonical SMILES: Fc1ccc(cc1)[C@@H]1CCN(C[C@H]1O)C(=O)c1ccc2c(c1)[nH]cc2
• InChI: InChI=1S/C20H19FN2O2/c21-16-5-3-13(4-6-16)17-8-10-23(12-19(17)24)20(25)15-2-1-14-7-9-22-18(14)11-15/h1-7,9,11,17,19,22,24H,8,10,12H2/t17-,19+/m0/s1
• InChIKey: OSLXNKJQAORTIS-PKOBYXMFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4S)-4-(4-fluorophenyl)-1-(1H-indole-6-carbonyl)piperidin-3-ol
• IUPAC Traditional name: (3S,4S)-4-(4-fluorophenyl)-1-(1H-indole-6-carbonyl)piperidin-3-ol
• Synonyms: (3S*,4S*)-4-(4-fluorophenyl)-1-(1H-indol-6-ylcarbonyl)piperidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.371529
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7869413
• LogD (pH = 7.4): 2.7869415
• Log P: 2.7869415
• Molar Refractivity: 94.3028 cm^3
• Polarizability: 36.703293 Å^3
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.74
• LOG S: -4.0
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 2