N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine

• ChemBase编号: 271344
• 分子式: C10H18N4O
• 平均质量: 210.27612
• 单一同位素质量: 210.14806122
• SMILES: n1c(noc1C)CN1CC(NC)CCC1
• Canonical SMILES: CNC1CCCN(C1)Cc1noc(n1)C
• InChI: InChI=1S/C10H18N4O/c1-8-12-10(13-15-8)7-14-5-3-4-9(6-14)11-2/h9,11H,3-7H2,1-2H3
• InChIKey: QHTYJTDKBGHPHB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
• IUPAC传统名: N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
• 别名: N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine

登记号

• MDL号: MFCD16788970
• PubChem SID: 164327254
• PubChem CID: 54592600

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.9187438
• LogD (pH = 7.4): -2.1921816
• Log P: 0.43269876
• 摩尔折射率: 59.1038 cm^3
• 极化性: 22.424091 Å^3
• 极化表面积: 54.19 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -0.101

产品相关信息

• 纯度: 95%