ethyl 1-[2-(morpholin-4-yl)ethyl]-4-phenyl(2,2,6,6-2H4)piperidine-4-carboxylate

• ChemBase编号: 174803
• 分子式: C20H30N2O3
• 平均质量: 346.4638
• 单一同位素质量: 346.22564283
• SMILES: C1C(CCN(C1)CCN1CCOCC1)(C(=O)OCC)c1ccccc1
• Canonical SMILES: CCOC(=O)C1(CCN(CC1)CCN1CCOCC1)c1ccccc1
• InChI: InChI=1S/C20H30N2O3/c1-2-25-19(23)20(18-6-4-3-5-7-18)8-10-21(11-9-20)12-13-22-14-16-24-17-15-22/h3-7H,2,8-17H2,1H3
• InChIKey: JDEDMCKQPKGSAX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 1-[2-(morpholin-4-yl)ethyl]-4-phenyl(2,2,6,6-^2H₄)piperidine-4-carboxylate
• IUPAC传统名: ethyl 1-[2-(morpholin-4-yl)ethyl]-4-phenyl(2,2,6,6-^2H₄)piperidine-4-carboxylate
• 别名: ########; Morpheridine-d4 Dihydrochloride

登记号

• PubChem SID: 164230713
• PubChem CID: 71750834

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.64034957
• LogD (pH = 7.4): 1.1246443
• Log P: 2.2559445
• 摩尔折射率: 99.5773 cm^3
• 极化性: 39.159805 Å^3
• 极化表面积: 42.01 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M651802

Labelled Morpheridine (M651800). A new analogue of Meperidine (M223900). Controlled substance (opiate).

参考文献

• Millar, R.A., et al.: Br. J. Pharmacol., 11, 27 (1956), Pauwels, R., et al.: Antimicrob. Agents Chemother., 38, 2863 (1994), Estrada, E., et al.: J. Med. Chem., 43, 1975 (2000),