4-[2-(3,3-diphenylpiperidin-1-yl)ethyl]morpholine

• ChemBase编号: 788333
• 分子式: C23H30N2O
• 平均质量: 350.4971
• 单一同位素质量: 350.23581359
• SMILES: C1(CN(CCN2CCOCC2)CCC1)(c1ccccc1)c1ccccc1
• Canonical SMILES: O1CCN(CC1)CCN1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H30N2O/c1-3-8-21(9-4-1)23(22-10-5-2-6-11-22)12-7-13-25(20-23)15-14-24-16-18-26-19-17-24/h1-6,8-11H,7,12-20H2
• InChIKey: IXUXWTYZPDSEMN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[2-(3,3-diphenylpiperidin-1-yl)ethyl]morpholine
• IUPAC传统名: 4-[2-(3,3-diphenylpiperidin-1-yl)ethyl]morpholine
• 别名: 4-[2-(3,3-diphenylpiperidin-1-yl)ethyl]morpholine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.4451509
• LogD (pH = 7.4): 1.7074597
• Log P: 3.8512614
• 摩尔折射率: 118.7778 cm^3
• 极化性: 42.446407 Å^3
• 极化表面积: 15.71 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.96
• LOG S: -3.74
• 极化表面积: 15.71 Å^2
• 可自由旋转的化学键: 5