N,N-dimethyl-2-(piperidin-4-yloxy)acetamide hydrochloride

• ChemBase编号: 286669
• 分子式: C9H19ClN2O2
• 平均质量: 222.71236
• 单一同位素质量: 222.11350554
• SMILES: C(=O)(N(C)C)COC1CCNCC1.Cl
• Canonical SMILES: CN(C(=O)COC1CCNCC1)C.Cl
• InChI: InChI=1S/C9H18N2O2.ClH/c1-11(2)9(12)7-13-8-3-5-10-6-4-8;/h8,10H,3-7H2,1-2H3;1H
• InChIKey: KODUVRNWQISPQT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-2-(piperidin-4-yloxy)acetamide hydrochloride
• IUPAC传统名: N,N-dimethyl-2-(piperidin-4-yloxy)acetamide hydrochloride
• 别名: N,N-dimethyl-2-(piperidin-4-yloxy)acetamide hydrochloride

登记号

• MDL号: MFCD22056519
• PubChem SID: 180672200
• PubChem CID: 73994911

理论计算性质

• Acid pKa: 19.873762
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.3332334
• LogD (pH = 7.4): -3.6448085
• Log P: -1.1132996
• 摩尔折射率: 50.8691 cm^3
• 极化性: 20.017399 Å^3
• 极化表面积: 41.57 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): -0.998

产品相关信息

• 纯度: 95%