1-Methyl-3-piperidyl-phenylcarbinol | 5562-48-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-Methyl-3-piperidyl-phenylcarbinol
• 英文别名: Phenyl-<1-methyl-piperidyl-(3)>-methanol；(1-Methyl-[3]piperidyl)-phenyl-methanol；(1-Methylpiperidin-3-yl)-phenylmethanol；(1-methylpiperidin-3-yl)-phenylmethanol
• CAS: 5562-48-1
• 化学式: C₁₃H₁₉NO
• 分子量: 205.3
• InChiKey: ICUIFJSALYQOQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Methyl-3-piperidyl-phenylcarbinol 在 氯化亚砜 作用下， 生成 3-[Chloro(phenyl)methyl]-1-methylpiperidine
  参考文献：
  名称：

  Structure–activity relationships of diphenylpiperazine N-type calcium channel inhibitors

  摘要：

  A novel series of compounds derived from the previously reported N-type calcium channel blocker NP118809 (1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one) is described. Extensive SAR studies resulted in compounds with IC50 values in the range of 10-150 nM and selectivity over the L-type channels up to nearly 1200-fold. Orally administered compounds 5 and 21 exhibited both anti-allodynic and anti-hyperalgesic activity in the spinal nerve ligation model of neuropathic pain. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.008
• 作为产物：
  描述：

  1-Methyl-3-benzoylpiperidin 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 1-Methyl-3-piperidyl-phenylcarbinol
  参考文献：
  名称：

  Structure–activity relationships of diphenylpiperazine N-type calcium channel inhibitors

  摘要：

  A novel series of compounds derived from the previously reported N-type calcium channel blocker NP118809 (1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one) is described. Extensive SAR studies resulted in compounds with IC50 values in the range of 10-150 nM and selectivity over the L-type channels up to nearly 1200-fold. Orally administered compounds 5 and 21 exhibited both anti-allodynic and anti-hyperalgesic activity in the spinal nerve ligation model of neuropathic pain. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.008

文献信息

• Sugimoto; Kugita, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1953, vol. 73, p. 66,70
  作者：Sugimoto、Kugita

  DOI：——

  日期：——