4-(3,3-diphenylpiperidine-1-carbonyl)morpholine

• ChemBase编号: 751218
• 分子式: C22H26N2O2
• 平均质量: 350.45404
• 单一同位素质量: 350.19942808
• SMILES: C(=O)(N1CC(c2ccccc2)(c2ccccc2)CCC1)N1CCOCC1
• Canonical SMILES: O=C(N1CCCC(C1)(c1ccccc1)c1ccccc1)N1CCOCC1
• InChI: InChI=1S/C22H26N2O2/c25-21(23-14-16-26-17-15-23)24-13-7-12-22(18-24,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2
• InChIKey: RTVWXVIEXIGUHY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(3,3-diphenylpiperidine-1-carbonyl)morpholine
• IUPAC传统名: 4-(3,3-diphenylpiperidine-1-carbonyl)morpholine
• 别名: 4-[(3,3-diphenylpiperidin-1-yl)carbonyl]morpholine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.1733174
• LogD (pH = 7.4): 3.1733177
• Log P: 3.1733177
• 摩尔折射率: 113.5 cm^3
• 极化性: 39.918907 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.68
• LOG S: -4.8
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 2