N,N-dimethyl-4-[2-(piperidin-4-yl)ethyl]pyridin-2-amine dihydrochloride

• ChemBase编号: 62838
• 分子式: C14H25Cl2N3
• 平均质量: 306.2744
• 单一同位素质量: 305.14255318
• SMILES: c1(nccc(c1)CCC1CCNCC1)N(C)C.Cl.Cl
• Canonical SMILES: CN(c1nccc(c1)CCC1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C14H23N3.2ClH/c1-17(2)14-11-13(7-10-16-14)4-3-12-5-8-15-9-6-12;;/h7,10-12,15H,3-6,8-9H2,1-2H3;2*1H
• InChIKey: ZAPLAAMENYAASU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-4-[2-(piperidin-4-yl)ethyl]pyridin-2-amine dihydrochloride
• IUPAC传统名: N,N-dimethyl-4-[2-(piperidin-4-yl)ethyl]pyridin-2-amine dihydrochloride
• 别名: Dimethyl-[4-(2-piperidin-4-yl-ethyl)-pyridin-2-yl]-amine dihydrochloride

登记号

• MDL号: MFCD21606106
• PubChem SID: 162028577
• PubChem CID: 71298841

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.0586796
• LogD (pH = 7.4): -0.51605284
• Log P: 2.452277
• 摩尔折射率: 73.2662 cm^3
• 极化性: 27.87879 Å^3
• 极化表面积: 28.16 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