1-benzyl-4-(2-methyl-1H-benzo[d]imidazol-1-ylmethyl)piperidin-4-ol | 1357011-79-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-benzyl-4-(2-methyl-1H-benzo[d]imidazol-1-ylmethyl)piperidin-4-ol
• 英文别名: 1-Benzyl-4-(2-methyl-1h-benzo[d]imidazol-1-ylmethyl)-piperidin-4-ol；1-benzyl-4-[(2-methylbenzimidazol-1-yl)methyl]piperidin-4-ol
• CAS: 1357011-79-0
• 化学式: C₂₁H₂₅N₃O
• 分子量: 335.449
• InChiKey: ZDQAAMWRZDVPTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  41.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-benzyl-4-(2-methyl-1H-benzo[d]imidazol-1-ylmethyl)piperidin-4-ol 在 5%-palladium/activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 生成 4-[(2-Methylbenzimidazol-1-yl)methyl]piperidin-4-ol
  参考文献：
  名称：

  Synthesis and biological evaluation of novel piperidin-4-ol derivatives

  摘要：

  A series of novel piperidin-4-ol derivatives were designed, synthesized, and evaluated for potential treatment of HIV. The compounds were obtained via an efficient synthetic route in excellent yields and have been characterized by H-1 NMR, C-13 NMR, MS, and elemental analysis. The CCR5 antagonistic activities of the compounds have also been evaluated.

  DOI：

  10.1007/s00706-011-0645-9
• 作为产物：
  描述：

  N-苄基哌啶酮 在 四丁基溴化铵 、 sodium hydroxide 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 1-benzyl-4-(2-methyl-1H-benzo[d]imidazol-1-ylmethyl)piperidin-4-ol
  参考文献：
  名称：

  Synthesis and biological evaluation of novel piperidin-4-ol derivatives

  摘要：

  A series of novel piperidin-4-ol derivatives were designed, synthesized, and evaluated for potential treatment of HIV. The compounds were obtained via an efficient synthetic route in excellent yields and have been characterized by H-1 NMR, C-13 NMR, MS, and elemental analysis. The CCR5 antagonistic activities of the compounds have also been evaluated.

  DOI：

  10.1007/s00706-011-0645-9