(2R,6S)-2,6-dimethyl-4-(piperidin-4-yl)morpholine

• ChemBase编号: 306809
• 分子式: C11H22N2O
• 平均质量: 198.30518
• 单一同位素质量: 198.17321333
• SMILES: N1(C[C@@H](O[C@@H](C1)C)C)C1CCNCC1
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C1CCNCC1
• InChI: InChI=1S/C11H22N2O/c1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11/h9-12H,3-8H2,1-2H3/t9-,10+
• InChIKey: MYYJFAYHVMWIDI-AOOOYVTPSA-N

名称和登记号

名称

• IUPAC标准名: (2R,6S)-2,6-dimethyl-4-(piperidin-4-yl)morpholine
• IUPAC传统名: (2R,6S)-2,6-dimethyl-4-(piperidin-4-yl)morpholine
• 别名: rac-(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine

登记号

• CAS号: 1187346-67-3
• MDL号: MFCD08669758

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.3171196
• LogD (pH = 7.4): -2.4076598
• Log P: 0.44857726
• 摩尔折射率: 58.0566 cm^3
• 极化性: 23.27968 Å^3
• 极化表面积: 24.5 Å^2