methyl(piperidin-3-ylmethyl)(pyridin-3-ylmethyl)amine

• ChemBase编号: 269351
• 分子式: C13H21N3
• 平均质量: 219.32594
• 单一同位素质量: 219.17354769
• SMILES: N1CC(CN(Cc2cnccc2)C)CCC1
• Canonical SMILES: CN(Cc1cccnc1)CC1CCCNC1
• InChI: InChI=1S/C13H21N3/c1-16(10-12-4-2-6-14-8-12)11-13-5-3-7-15-9-13/h2,4,6,8,13,15H,3,5,7,9-11H2,1H3
• InChIKey: UKDGSWVIHDBVMN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl(piperidin-3-ylmethyl)(pyridin-3-ylmethyl)amine
• IUPAC传统名: methyl(piperidin-3-ylmethyl)(pyridin-3-ylmethyl)amine
• 别名: methyl(piperidin-3-ylmethyl)(pyridin-3-ylmethyl)amine

登记号

• MDL号: MFCD09041634
• PubChem SID: 164325261
• PubChem CID: 16768130

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.3654156
• LogD (pH = 7.4): -2.331029
• Log P: 0.8428858
• 摩尔折射率: 67.3194 cm^3
• 极化性: 26.509207 Å^3
• 极化表面积: 28.16 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.71

产品相关信息

• 纯度: 95%