4-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methoxypyridine

• ChemBase编号: 509034
• 分子式: C18H19FN2O2
• 平均质量: 314.3540632
• 单一同位素质量: 314.14305608
• SMILES: N1(C(=O)c2cc(ncc2)OC)C(c2ccc(cc2)F)CCCC1
• Canonical SMILES: COc1nccc(c1)C(=O)N1CCCCC1c1ccc(cc1)F
• InChI: InChI=1S/C18H19FN2O2/c1-23-17-12-14(9-10-20-17)18(22)21-11-3-2-4-16(21)13-5-7-15(19)8-6-13/h5-10,12,16H,2-4,11H2,1H3
• InChIKey: VEHTZDDWEQAFTK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methoxypyridine
• IUPAC传统名: 4-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methoxypyridine
• 别名: 4-{[2-(4-fluorophenyl)-1-piperidinyl]carbonyl}-2-methoxypyridine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.2676358
• LogD (pH = 7.4): 3.2676601
• Log P: 3.2676604
• 摩尔折射率: 86.1908 cm^3
• 极化性: 32.52569 Å^3
• 极化表面积: 42.43 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.04
• LOG S: -4.09
• 极化表面积: 42.43 Å^2
• 可自由旋转的化学键: 3