N,N-dimethyl-4-[3-(pyridin-4-yl)propyl]piperidine-4-carboxamide dihydrochloride

• ChemBase编号: 62171
• 分子式: C16H27Cl2N3O
• 平均质量: 348.31108
• 单一同位素质量: 347.15311786
• SMILES: C(=O)(C1(CCCc2ccncc2)CCNCC1)N(C)C.Cl.Cl
• Canonical SMILES: CN(C(=O)C1(CCCc2ccncc2)CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C16H25N3O.2ClH/c1-19(2)15(20)16(8-12-18-13-9-16)7-3-4-14-5-10-17-11-6-14;;/h5-6,10-11,18H,3-4,7-9,12-13H2,1-2H3;2*1H
• InChIKey: RRVFXMLLQORGLY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-4-[3-(pyridin-4-yl)propyl]piperidine-4-carboxamide dihydrochloride
• IUPAC传统名: N,N-dimethyl-4-[3-(pyridin-4-yl)propyl]piperidine-4-carboxamide dihydrochloride
• 别名: 4-(3-Pyridin-4-yl-propyl)-piperidine-4-carboxylic acid dimethylamide dihydrochloride

登记号

• MDL号: MFCD21605814
• PubChem SID: 162027910
• PubChem CID: 71298564

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.256076
• LogD (pH = 7.4): -1.3012764
• Log P: 1.3264935
• 摩尔折射率: 80.933 cm^3
• 极化性: 31.616074 Å^3
• 极化表面积: 45.23 Å^2
• 可自由旋转的化学键: 5
• 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