({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)(methyl)amine dihydrochloride

• ChemBase编号: 15869
• 分子式: C15H25Cl2FN2
• 平均质量: 323.2768032
• 单一同位素质量: 322.13788239
• SMILES: C1(CCN(CC1)CCc1ccc(cc1)F)CNC.Cl.Cl
• Canonical SMILES: CNCC1CCN(CC1)CCc1ccc(cc1)F.Cl.Cl
• InChI: InChI=1S/C15H23FN2.2ClH/c1-17-12-14-7-10-18(11-8-14)9-6-13-2-4-15(16)5-3-13;;/h2-5,14,17H,6-12H2,1H3;2*1H
• InChIKey: BOAZGFPAWUIUMC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)(methyl)amine dihydrochloride
• IUPAC传统名: ({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)(methyl)amine dihydrochloride
• 别名: ({1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl}-methyl)methylamine dihydrochloride

登记号

• MDL号: MFCD06800768
• PubChem SID: 160979176
• PubChem CID: 45075098

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -4.104345
• LogD (pH = 7.4): -2.377332
• Log P: 2.4503646
• 摩尔折射率: 74.5465 cm^3
• 极化性: 28.800684 Å^3
• 极化表面积: 15.27 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