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

• ChemBase编号: 271737
• 分子式: C11H20N4O
• 平均质量: 224.3027
• 单一同位素质量: 224.16371128
• SMILES: n1c(noc1CC)CN1CC(NC)CCC1
• Canonical SMILES: CNC1CCCN(C1)Cc1noc(n1)CC
• InChI: InChI=1S/C11H20N4O/c1-3-11-13-10(14-16-11)8-15-6-4-5-9(7-15)12-2/h9,12H,3-8H2,1-2H3
• InChIKey: GRRSAHUQZCBOSI-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD16789026
• PubChem SID: 164327647
• PubChem CID: 54592651

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.2686071
• LogD (pH = 7.4): -1.5431937
• Log P: 1.0816686
• 摩尔折射率: 63.7307 cm^3
• 极化性: 24.260653 Å^3
• 极化表面积: 54.19 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): 0.428

产品相关信息

• 纯度: 95%