1-(2,4-dichlorophenyl)-4-(4-(naphthalen-2-yloxy)butyl)piperazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-(2,4-dichlorophenyl)-4-(4-(naphthalen-2-yloxy)butyl)piperazine
• 英文别名: 1-(2,4-Dichlorophenyl)-4-(4-naphthalen-2-yloxybutyl)piperazine；1-(2,4-dichlorophenyl)-4-(4-naphthalen-2-yloxybutyl)piperazine
• 化学式: C₂₄H₂₆Cl₂N₂O
• 分子量: 429.389
• InChiKey: AWRLKRYSNLRLAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  15.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,4-二氯苯胺 在 三乙胺 作用下， 以 二乙二醇二甲醚 为溶剂， 生成 1-(2,4-dichlorophenyl)-4-(4-(naphthalen-2-yloxy)butyl)piperazine
  参考文献：
  名称：

  Design, synthesis, and systematic evaluation of 4-arylpiperazine- and 4-benzylpiperidine napthyl ethers as inhibitors of monoamine neurotransmitters reuptake

  摘要：

  Two series of 4-arylpiperazine- and 4-benzylpiperidine naphthyl ethers were designed based on structure-activity relationship (SAR) and docking model of reported monoamine neurotransmitters reuptake inhibitors. The compounds were synthesized in 3-simple steps and their biological activities were evaluated. Several compounds were proven to be potent inhibitors of serotonin and norepinephrine reuptake. Computer docking was performed to study the interaction of the most potent compound 35 with human serotonin transporter. The results of the analyses suggest that 4-arylpiperazine- and 4-benzylpiperidine naphthyl ethers might be promising anti-depressants worthy of further studies.

  DOI：

  10.1016/j.bmc.2018.09.033