{1-[2-(1H-indol-3-yl)-ethyl]-1H-[1,2,3]triazol-4-ylmethyl}-piperidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: {1-[2-(1H-indol-3-yl)-ethyl]-1H-[1,2,3]triazol-4-ylmethyl}-piperidine
• 英文别名: 3-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethyl]-1H-indole
• 化学式: C₁₈H₂₃N₅
• 分子量: 309.414
• InChiKey: BQMIOYOBLYRMKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  49.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  哌啶 、 3-(2-azidoethyl)-1H-indole 、 3-溴丙炔 在 三乙胺 、 copper(l) iodide 作用下， 以 水 为溶剂， 反应 11.0h， 以95%的产率得到{1-[2-(1H-indol-3-yl)-ethyl]-1H-[1,2,3]triazol-4-ylmethyl}-piperidine
  参考文献：
  名称：

  Synthesis, Characterization, and Antimicrobial Screening of Ethylene-Spaced Bis-heterocycles

  摘要：

  A new class of ethylene‐spaced bis‐heterocycles that was synthesized in a simple and efficient method from the one‐pot, three‐component reaction of amine 2, propargyl halide 3, and indolyl azide 1 in water is described. The identities of these compounds were confirmed following elemental analysis, IR, 1H, 13C NMR, and mass spectral studies. All the title compounds exhibited pronounced in vitro antibacterial and antifungal activities.

  DOI：

  10.1002/jhet.1675

文献信息

• Synthesis, Characterization, and Antimicrobial Screening of Ethylene-Spaced Bis-heterocycles
  作者：A. Babul Reddy、R. V. Hymavathi、G. Narayana Swamy

  DOI：10.1002/jhet.1675

  日期：2014.7

  A new class of ethylene‐spaced bis‐heterocycles that was synthesized in a simple and efficient method from the one‐pot, three‐component reaction of amine 2, propargyl halide 3, and indolyl azide 1 in water is described. The identities of these compounds were confirmed following elemental analysis, IR, 1H, 13C NMR, and mass spectral studies. All the title compounds exhibited pronounced in vitro antibacterial and antifungal activities.