4-(3-hydroxyphenyl)piperidinium chloride | 1370256-42-0

• 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: 4-(3-hydroxyphenyl)piperidinium chloride
• 英文别名: 3-(Piperidin-4-yl)phenol hydrochloride；3-piperidin-4-ylphenol;hydrochloride
• CAS: 1370256-42-0
• 化学式: C₁₁H₁₅NO*ClH
• 分子量: 213.707
• InChiKey: SGLLWOAOHCZOCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  32.3
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-苄氧基溴苯 在 盐酸 、 palladium 10% on activated carbon 、 氢气 、 碘 、 magnesium 作用下， 以 四氢呋喃 、 甲醇 、 乙二醇二甲醚 、 水 为溶剂， 反应 29.0h， 生成 4-(3-hydroxyphenyl)piperidinium chloride
  参考文献：
  名称：

  Synthesis and SAR study of 4-arylpiperidines and 4-aryl-1,2,3,6-tetrahydropyridines as 5-HT2C agonists

  摘要：

  A series of substituted 4-arylpiperidines and a smaller family of 4-aryl-1,2,3,6-tetrahydropyridines were synthesized and their biological activity at the 5-HT2C receptor studied to determine whether either series showed noteworthy agonist activity. Structure-activity relationships were developed from the performed receptor binding assays and functional studies, and the results of the analysis are presented herein. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.122

文献信息

• Synthesis and SAR study of 4-arylpiperidines and 4-aryl-1,2,3,6-tetrahydropyridines as 5-HT2C agonists
  作者：Richard J. Conway、Celine Valant、Arthur Christopoulos、Alan D. Robertson、Ben Capuano、Ian T. Crosby

  DOI：10.1016/j.bmcl.2012.01.122

  日期：2012.4

  A series of substituted 4-arylpiperidines and a smaller family of 4-aryl-1,2,3,6-tetrahydropyridines were synthesized and their biological activity at the 5-HT2C receptor studied to determine whether either series showed noteworthy agonist activity. Structure-activity relationships were developed from the performed receptor binding assays and functional studies, and the results of the analysis are presented herein. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.