4-(morpholin-4-ylmethyl)piperidin-4-ol dihydrochloride

• ChemBase编号: 246214
• 分子式: C10H22Cl2N2O2
• 平均质量: 273.19988
• 单一同位素质量: 272.10583331
• SMILES: N1(CC2(CCNCC2)O)CCOCC1.Cl.Cl
• Canonical SMILES: OC1(CCNCC1)CN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2O2.2ClH/c13-10(1-3-11-4-2-10)9-12-5-7-14-8-6-12;;/h11,13H,1-9H2;2*1H
• InChIKey: CUXYZUDQZDLSLR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(morpholin-4-ylmethyl)piperidin-4-ol dihydrochloride
• IUPAC传统名: 4-(morpholin-4-ylmethyl)piperidin-4-ol dihydrochloride
• 别名: 4-(morpholin-4-ylmethyl)piperidin-4-ol dihydrochloride

登记号

• MDL号: MFCD23144251
• PubChem SID: 164302124
• PubChem CID: 66860023

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -6.621275
• LogD (pH = 7.4): -3.9560788
• Log P: -1.1509061
• 摩尔折射率: 55.4009 cm^3
• 极化性: 22.059525 Å^3
• 极化表面积: 44.73 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true
• Acid pKa: 14.33075

分子性质

理化性质

• 熔点: 216 - 218°C
• 疏水性(logP): -0.806

产品相关信息

• 纯度: 95%