1-[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]piperidin-3-ol

• ChemBase ID: 679760
• Molecular Formular: C18H25FN2O3
• Molecular Mass: 336.4011032
• Monoisotopic Mass: 336.18492089
• SMILES: c1(C(=O)N2CCC(N3CC(O)CCC3)CC2)c(ccc(c1)F)OC
• Canonical SMILES: COc1ccc(cc1C(=O)N1CCC(CC1)N1CCCC(C1)O)F
• InChI: InChI=1S/C18H25FN2O3/c1-24-17-5-4-13(19)11-16(17)18(23)20-9-6-14(7-10-20)21-8-2-3-15(22)12-21/h4-5,11,14-15,22H,2-3,6-10,12H2,1H3
• InChIKey: AUEVGNFVYWOFKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]piperidin-3-ol
• IUPAC Traditional name: 1-[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]piperidin-3-ol
• Synonyms: 1'-(5-fluoro-2-methoxybenzoyl)-1,4'-bipiperidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.885957
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1933117
• LogD (pH = 7.4): -0.6539047
• Log P: 1.0585376
• Molar Refractivity: 90.564 cm^3
• Polarizability: 34.482994 Å^3
• Polar Surface Area: 53.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.19
• LOG S: -2.67
• Polar Surface Area: 53.01 Å^2
• Rotatable Bonds: 3