ethyl 4-[(4-aminopiperidin-1-yl)methyl]piperidine-1-carboxylate dihydrochloride

• ChemBase编号: 55323
• 分子式: C14H29Cl2N3O2
• 平均质量: 342.30496
• 单一同位素质量: 341.16368254
• SMILES: N1(C(=O)OCC)CCC(CN2CCC(CC2)N)CC1.Cl.Cl
• Canonical SMILES: CCOC(=O)N1CCC(CC1)CN1CCC(CC1)N.Cl.Cl
• InChI: InChI=1S/C14H27N3O2.2ClH/c1-2-19-14(18)17-9-3-12(4-10-17)11-16-7-5-13(15)6-8-16;;/h12-13H,2-11,15H2,1H3;2*1H
• InChIKey: IXPRGWXQZOYZBM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 4-[(4-aminopiperidin-1-yl)methyl]piperidine-1-carboxylate dihydrochloride
• IUPAC传统名: ethyl 4-[(4-aminopiperidin-1-yl)methyl]piperidine-1-carboxylate dihydrochloride
• 别名: Ethyl 4-[(4-aminopiperidin-1-yl)methyl]piperidine-1-carboxylate dihydrochloride

登记号

• MDL号: MFCD13857431
• PubChem SID: 162060086
• PubChem CID: 56773556

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -5.96004
• LogD (pH = 7.4): -3.9692903
• Log P: 0.09174757
• 摩尔折射率: 76.2824 cm^3
• 极化性: 30.013216 Å^3
• 极化表面积: 58.8 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false