1-Benzo[1,3]dioxol-5-yl-4-piperazin-1-yl-cyclohexanol | 150019-59-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1-Benzo[1,3]dioxol-5-yl-4-piperazin-1-yl-cyclohexanol
• CAS: 150019-59-3
• 化学式: C₁₇H₂₄N₂O₃
• 分子量: 304.389
• InChiKey: AFKNHCZSUNMZHF-KDYLLFBJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.45
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  53.96
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-Benzo[1,3]dioxol-5-yl-4-piperazin-1-yl-cyclohexanol 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 1-Benzo[1,3]dioxol-5-yl-4-[4-(2-fluoro-benzyl)-piperazin-1-yl]-cyclohexanol
  参考文献：
  名称：

  Development of a presynaptic 5-HT1A antagonist

  摘要：

  A new 5-HT1A silent antagonist 14 (5-HT1A IC50 = 2.2 nM) antagonizes the effects of agonists on reciprocal forepaw treading behavior, on neuronal firing in the rat dorsal raphe, and on 5-HT1A release in the raphe and hippocampus. While 14 alone was inactive in the social interaction paradigm, it completely reversed the social interaction activity of the serotonergic compounds (buspirone, 1, and 2). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00879-x
• 作为产物：
  描述：

  Cis phenylmethyl-4-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-cyclohexyl]-1-piperazine carboxylate 在 palladium on activated charcoal 氢气 作用下， 生成 1-Benzo[1,3]dioxol-5-yl-4-piperazin-1-yl-cyclohexanol
  参考文献：
  名称：

  Development of a presynaptic 5-HT1A antagonist

  摘要：

  A new 5-HT1A silent antagonist 14 (5-HT1A IC50 = 2.2 nM) antagonizes the effects of agonists on reciprocal forepaw treading behavior, on neuronal firing in the rat dorsal raphe, and on 5-HT1A release in the raphe and hippocampus. While 14 alone was inactive in the social interaction paradigm, it completely reversed the social interaction activity of the serotonergic compounds (buspirone, 1, and 2). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00879-x