N,N-dimethyl-3-[6-methyl-2-(piperidin-3-yl)pyrimidin-4-yl]propanamide dihydrochloride

• ChemBase编号: 63042
• 分子式: C15H26Cl2N4O
• 平均质量: 349.29914
• 单一同位素质量: 348.14836683
• SMILES: c1(nc(cc(n1)C)CCC(=O)N(C)C)C1CNCCC1.Cl.Cl
• Canonical SMILES: O=C(N(C)C)CCc1cc(C)nc(n1)C1CCCNC1.Cl.Cl
• InChI: InChI=1S/C15H24N4O.2ClH/c1-11-9-13(6-7-14(20)19(2)3)18-15(17-11)12-5-4-8-16-10-12;;/h9,12,16H,4-8,10H2,1-3H3;2*1H
• InChIKey: LYSPKQSQTPGADD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-3-[6-methyl-2-(piperidin-3-yl)pyrimidin-4-yl]propanamide dihydrochloride
• IUPAC传统名: N,N-dimethyl-3-[6-methyl-2-(piperidin-3-yl)pyrimidin-4-yl]propanamide dihydrochloride
• 别名: N,N-Dimethyl-3-(6-methyl-2-piperidin-3-yl-pyrimidin-4-yl)-propionamide dihydrochloride

登记号

• MDL号: MFCD21606265
• PubChem SID: 162028781
• PubChem CID: 71298990

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.6839354
• LogD (pH = 7.4): -1.4824498
• Log P: 0.59284484
• 摩尔折射率: 79.3162 cm^3
• 极化性: 30.644356 Å^3
• 极化表面积: 58.12 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