2-[(piperidin-3-yloxy)methyl]pyridine

• ChemBase编号: 307038
• 分子式: C11H16N2O
• 平均质量: 192.25754
• 单一同位素质量: 192.12626314
• SMILES: N1CC(OCc2ncccc2)CCC1
• Canonical SMILES: C1CCC(CN1)OCc1ccccn1
• InChI: InChI=1S/C11H16N2O/c1-2-7-13-10(4-1)9-14-11-5-3-6-12-8-11/h1-2,4,7,11-12H,3,5-6,8-9H2
• InChIKey: MSMROVSZSSGCHL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(piperidin-3-yloxy)methyl]pyridine
• IUPAC传统名: 2-[(piperidin-3-yloxy)methyl]pyridine
• 别名: 2-[(piperidin-3-yloxy)methyl]pyridine

登记号

• MDL号: MFCD09864288

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.3845127
• LogD (pH = 7.4): -1.387644
• Log P: 0.81398314
• 摩尔折射率: 54.8816 cm^3
• 极化性: 21.964733 Å^3
• 极化表面积: 34.15 Å^2