methyl(oxan-4-ylmethyl)(piperidin-4-ylmethyl)amine dihydrochloride

• ChemBase编号: 47978
• 分子式: C13H28Cl2N2O
• 平均质量: 299.28022
• 单一同位素质量: 298.15786889
• SMILES: N1CCC(CN(CC2CCOCC2)C)CC1.Cl.Cl
• Canonical SMILES: CN(CC1CCOCC1)CC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C13H26N2O.2ClH/c1-15(10-12-2-6-14-7-3-12)11-13-4-8-16-9-5-13;;/h12-14H,2-11H2,1H3;2*1H
• InChIKey: SVWZEYVTPDVYSG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl(oxan-4-ylmethyl)(piperidin-4-ylmethyl)amine dihydrochloride
• IUPAC传统名: methyl(oxan-4-ylmethyl)(piperidin-4-ylmethyl)amine dihydrochloride
• 别名: N-Methyl(4-piperidinyl)-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine dihydrochloride

登记号

• MDL号: MFCD13561535
• PubChem SID: 162052741
• PubChem CID: 53410875

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -6.0098095
• LogD (pH = 7.4): -5.2162905
• Log P: 0.71631527
• 摩尔折射率: 68.256 cm^3
• 极化性: 26.967915 Å^3
• 极化表面积: 24.5 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