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

• ChemBase编号: 270288
• 分子式: C11H19N3O
• 平均质量: 209.28806
• 单一同位素质量: 209.15281224
• SMILES: c1(onc(c1)C)CN1CCC(CC1)NC
• Canonical SMILES: CNC1CCN(CC1)Cc1onc(c1)C
• InChI: InChI=1S/C11H19N3O/c1-9-7-11(15-13-9)8-14-5-3-10(12-2)4-6-14/h7,10,12H,3-6,8H2,1-2H3
• InChIKey: BVTZFWJWIKKVFZ-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD16125972
• PubChem SID: 164326198
• PubChem CID: 50989057

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.180518
• LogD (pH = 7.4): -2.9748898
• Log P: -0.025682535
• 摩尔折射率: 60.6681 cm^3
• 极化性: 23.282797 Å^3
• 极化表面积: 41.3 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): -0.424

产品相关信息

• 纯度: 95%