1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(4-phenylpiperidin-1-yl)ethan-1-one

• ChemBase编号: 683661
• 分子式: C23H27FN2O2
• 平均质量: 382.4710832
• 单一同位素质量: 382.20565633
• SMILES: N1(C(=O)CN2CCC(CC2)c2ccccc2)CC(c2ccc(cc2)F)OCC1
• Canonical SMILES: Fc1ccc(cc1)C1OCCN(C1)C(=O)CN1CCC(CC1)c1ccccc1
• InChI: InChI=1S/C23H27FN2O2/c24-21-8-6-20(7-9-21)22-16-26(14-15-28-22)23(27)17-25-12-10-19(11-13-25)18-4-2-1-3-5-18/h1-9,19,22H,10-17H2
• InChIKey: WFBQJHRIBSZXPT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(4-phenylpiperidin-1-yl)ethan-1-one
• IUPAC传统名: 1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(4-phenylpiperidin-1-yl)ethanone
• 别名: 2-(4-fluorophenyl)-4-[(4-phenyl-1-piperidinyl)acetyl]morpholine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.0508758
• LogD (pH = 7.4): 2.7718172
• Log P: 3.2881932
• 摩尔折射率: 108.0476 cm^3
• 极化性: 41.716637 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 4.12
• LOG S: -5.51
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 4