4-[3-(3-Fluorophenoxymethyl)-2-methylphenyl]piperidine | 1160872-59-2

• 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: 4-[3-(3-Fluorophenoxymethyl)-2-methylphenyl]piperidine
• 英文别名: 4-[3-[(3-fluorophenoxy)methyl]-2-methylphenyl]piperidine
• CAS: 1160872-59-2
• 化学式: C₁₉H₂₂FNO
• 分子量: 299.388
• InChiKey: KIZFMRQJZCWSQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 4-[3-(3-Fluorophenoxymethyl)-2-methylphenyl]piperidine
  参考文献：
  名称：

  Synthesis and SAR of tolylamine 5-HT6 antagonists

  摘要：

  The synthesis and SAR of tolylamines with 5-HT6 receptor antagonist activity is presented. The amine, core aromatic, peripheral aromatic, and ether linker moieties of HTS hit 1 were modulated and the effect on potency at 5-HT6 examined. Tolylpiperidine ether 9h was found to possess desirable pharmacokinetic (PK) properties, and was also shown to enhance cognition in the rat novel object recognition paradigm. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.077