ethyl 4-(methylamino)-1-(1-phenylethyl)piperidine-2-carboxylate

• ChemBase编号: 801390
• 分子式: C17H26N2O2
• 平均质量: 290.40054
• 单一同位素质量: 290.19942808
• SMILES: C1(CCN(C(C1)C(=O)OCC)C(C)c1ccccc1)NC
• Canonical SMILES: CCOC(=O)C1CC(NC)CCN1C(c1ccccc1)C
• InChI: InChI=1S/C17H26N2O2/c1-4-21-17(20)16-12-15(18-3)10-11-19(16)13(2)14-8-6-5-7-9-14/h5-9,13,15-16,18H,4,10-12H2,1-3H3
• InChIKey: CRDXCIDOQPFRLY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 4-(methylamino)-1-(1-phenylethyl)piperidine-2-carboxylate
• IUPAC传统名: ethyl 4-(methylamino)-1-(1-phenylethyl)piperidine-2-carboxylate
• 别名: ETHYL 4-(METHYLAMINO)-1-(1-PHENYLETHYL)PIPERIDINE-2-CARBOXYLATE

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.3878238
• LogD (pH = 7.4): -0.27397904
• Log P: 2.1676173
• 摩尔折射率: 84.5235 cm^3
• 极化性: 33.67805 Å^3
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%