1-[(4-Imidazol-1-ylphenyl)methyl]piperidin-4-ol | 937805-96-4

• 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: 1-[(4-Imidazol-1-ylphenyl)methyl]piperidin-4-ol
• CAS: 937805-96-4
• 化学式: C₁₅H₁₉N₃O
• 分子量: 257.335
• InChiKey: MHUOQBGKAHGJNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  41.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[(4-Imidazol-1-ylphenyl)methyl]piperidin-4-ol 在 草酰氯 、 二甲基亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以100%的产率得到
  参考文献：
  名称：

  Synthesis and structure–activity relationships of spirohydantoin-derived small-molecule antagonists of the melanin-concentrating hormone receptor-1 (MCH-R1)

  摘要：

  The design, synthesis, and SAR of a series of substituted spirohydantoins are described. Optimization of an in-house screening hit gave compounds that exhibited potent binding affinity and functional activity at MCH-R1. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.104
• 作为产物：
  描述：

  4-羟基哌啶 、 1-(4-甲醛基苯基)咪唑 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 12.0h， 以20%的产率得到1-[(4-Imidazol-1-ylphenyl)methyl]piperidin-4-ol
  参考文献：
  名称：

  Synthesis and structure–activity relationships of spirohydantoin-derived small-molecule antagonists of the melanin-concentrating hormone receptor-1 (MCH-R1)

  摘要：

  The design, synthesis, and SAR of a series of substituted spirohydantoins are described. Optimization of an in-house screening hit gave compounds that exhibited potent binding affinity and functional activity at MCH-R1. (c) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.01.104

文献信息

• Synthesis and structure–activity relationships of spirohydantoin-derived small-molecule antagonists of the melanin-concentrating hormone receptor-1 (MCH-R1)
  作者：Martin W. Rowbottom、Troy D. Vickers、Junko Tamiya、Mingzhu Zhang、Brian Dyck、Jonathan Grey、David Schwarz、Christopher E. Heise、Michael Hedrick、Jenny Wen、Hui Tang、Hua Wang、Andrew Fisher、Anna Aparicio、John Saunders、Val S. Goodfellow

  DOI：10.1016/j.bmcl.2007.01.104

  日期：2007.4

  The design, synthesis, and SAR of a series of substituted spirohydantoins are described. Optimization of an in-house screening hit gave compounds that exhibited potent binding affinity and functional activity at MCH-R1. (c) 2007 Published by Elsevier Ltd.