4-(3-methyl-3-phenylpiperidine-1-carbonyl)morpholine

• ChemBase编号: 375379
• 分子式: C17H24N2O2
• 平均质量: 288.38466
• 单一同位素质量: 288.18377802
• SMILES: C(=O)(N1CC(c2ccccc2)(CCC1)C)N1CCOCC1
• Canonical SMILES: O=C(N1CCCC(C1)(C)c1ccccc1)N1CCOCC1
• InChI: InChI=1S/C17H24N2O2/c1-17(15-6-3-2-4-7-15)8-5-9-19(14-17)16(20)18-10-12-21-13-11-18/h2-4,6-7H,5,8-14H2,1H3
• InChIKey: YELZULPFZUPZJN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(3-methyl-3-phenylpiperidine-1-carbonyl)morpholine
• IUPAC传统名: 4-(3-methyl-3-phenylpiperidine-1-carbonyl)morpholine
• 别名: 4-[(3-methyl-3-phenylpiperidin-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): 2.0395133
• LogD (pH = 7.4): 2.0395138
• Log P: 2.0395138
• 摩尔折射率: 82.9106 cm^3
• 极化性: 32.161148 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.75
• LOG S: -3.75
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 1