({1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl}methyl)(methyl)amine

• ChemBase编号: 15824
• 分子式: C15H23FN2
• 平均质量: 250.3549232
• 单一同位素质量: 250.18452697
• SMILES: C1(CCN(CC1)CCc1cccc(c1)F)CNC
• Canonical SMILES: CNCC1CCN(CC1)CCc1cccc(c1)F
• InChI: InChI=1S/C15H23FN2/c1-17-12-14-6-9-18(10-7-14)8-5-13-3-2-4-15(16)11-13/h2-4,11,14,17H,5-10,12H2,1H3
• InChIKey: KEYXGSGLRTYLPN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ({1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl}methyl)(methyl)amine
• IUPAC传统名: ({1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl}methyl)(methyl)amine
• 别名: ({1-[2-(3-Fluorophenyl)ethyl]piperidin-4-yl}-methyl)methylamine

登记号

• MDL号: MFCD06800767
• PubChem SID: 160979131
• PubChem CID: 26188688

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.920775
• LogD (pH = 7.4): -1.9893401
• Log P: 2.4503646
• 摩尔折射率: 74.5465 cm^3
• 极化性: 28.801079 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