4-苯并咪唑-1-甲基-哌啶-4-醇 | 949100-26-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 4-苯并咪唑-1-甲基-哌啶-4-醇
• 英文名称: 4-((1H-benzo[d]imidazol-1-yl)methyl)piperidin-4-ol
• 英文别名: 4-(benzimidazol-1-ylmethyl)piperidin-4-ol
• CAS: 949100-26-9
• 化学式: C₁₃H₁₇N₃O
• 分子量: 231.297
• InChiKey: CERBDBHTMBDLSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  50.1
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4-fluoro-N-(3-oxo-1-phenylpropyl)benzamide 、 4-苯并咪唑-1-甲基-哌啶-4-醇 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以70%的产率得到N-[3-[4-(1H-benzo[d]imidazol-1-ylmethyl)-4-hydroxypiperidin-1-yl]-1-phenylpropyl]-4-fluorobenzamide
  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：

  6-苄基-1-噁-6-氮杂螺[2.5]辛烷 在 5%-palladium/activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 生成 4-苯并咪唑-1-甲基-哌啶-4-醇
  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

文献信息

• Synthesis and biological evaluation of novel piperidin-4-ol derivatives
  作者：Zhiyong Weng、Wei Wei、Xiaowu Dong、Yongzhou Hu、Shufang Huang、Tao Liu、Xin Xie

  DOI：10.1007/s00706-011-0645-9

  日期：2012.2

  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.