4-[(5,6,7,8-tetrahydronaphthalen-1-yloxy)methyl]piperidine hydrochloride

• ChemBase编号: 15305
• 分子式: C16H24ClNO
• 平均质量: 281.82086
• 单一同位素质量: 281.15464207
• SMILES: c12c(OCC3CCNCC3)cccc1CCCC2.Cl
• Canonical SMILES: N1CCC(CC1)COc1cccc2c1CCCC2.Cl
• InChI: InChI=1S/C16H23NO.ClH/c1-2-6-15-14(4-1)5-3-7-16(15)18-12-13-8-10-17-11-9-13;/h3,5,7,13,17H,1-2,4,6,8-12H2;1H
• InChIKey: GCVNQZLIDUDCQA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(5,6,7,8-tetrahydronaphthalen-1-yloxy)methyl]piperidine hydrochloride
• IUPAC传统名: 4-[(5,6,7,8-tetrahydronaphthalen-1-yloxy)methyl]piperidine hydrochloride
• 别名: 4-[(5,6,7,8-Tetrahydro-1-naphthalenyloxy)-methyl]piperidine hydrochloride

登记号

• MDL号: MFCD08445812
• PubChem SID: 160978612
• PubChem CID: 17178032

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.14076681
• LogD (pH = 7.4): 0.6015376
• Log P: 3.3721876
• 摩尔折射率: 74.9778 cm^3
• 极化性: 29.356613 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false