698981-81-6 (2-Methyl-5-(1-piperazinyl)quinoline,2-methyl-5-(1-piperazinyl)quinoline)

CAS号:
698981-81-6
中文名称:
2-Methyl-5-(1-piperazinyl)quinoline
英文名称:
2-methyl-5-(1-piperazinyl)quinoline
分子式:
C14H17N3
分子量:
227.304882764816

2-Methyl-5-(1-piperazinyl)quinoline(698981-81-6)名称与标识符

名称

中文别名:
2-Methyl-5-(1-piperazinyl)quinoline;
英文别名:
2-methyl-5-(1-piperazinyl)quinoline;2-methyl-5-(1-methyl-pyrrolidin-2-yl)-pyridine;ACMC-20m4l9;2-methyl-5-piperazin-1-yl-quinoline;AG-D-08534;5-piperazine-2-methylquinoline;Pyridine,2-methyl-5-(1-methyl-2-pyrrolidinyl)-;3-METHYL-6-(1-METHYL-2-PYRROLIDINYL)PYRIDINE;2-methyl-5-piperazin-1-ylquinoline;CTK3J9880;KB-236618;(S)-6-Methylnicotine;2-Me-5-(1-piperazinyl)quinoline;Pyridine,2-methyl-5-(1-methyl-2-pyrrolidinyl)-, (?A'A A'A currency)-;2-methyl-5-(1-methyl-pyrrolidin-2-yl)-pyridine; ACMC-20m4l9; 2-methyl-5-piperazin-1-yl-quinoline; AG-D-08534; 5-piperazine-2-methylquinoline; Pyridine,2-methyl-5-(1-methyl-2-pyrrolidinyl)-; 3-METHYL-6-(1-METHYL-2-PYRROLIDINYL)PYRIDINE; 2-methyl-5-piperazin-1-ylquinoline; CTK3J9880; KB-236618; (S)-6-Methylnicotine; 2-Me-5-(1-piperazinyl)quinoline; 101540-79-8; Pyridine,2-methyl-5-(1-methyl-2-pyrrolidinyl)-, (?A'A A'A currency)-;;SCHEMBL428165;698981-81-6;PZNAAXFCMFHGNR-UHFFFAOYSA-N;DB-217484;

标识符

InChIKey:
PZNAAXFCMFHGNR-UHFFFAOYSA-N
Inchi:
1S/C14H17N3/c1-11-5-6-12-13(16-11)3-2-4-14(12)17-9-7-15-8-10-17/h2-6,15H,7-10H2,1H3
SMILES:
N1(C2=CC=CC3C2=CC=C(C)N=3)CCNCC1

2-Methyl-5-(1-piperazinyl)quinoline(698981-81-6)物化性质

实验特性

  • PSA : 28.16

计算特性

  • 精确分子量 : 227.14241
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 227.142247555g/mol
  • 重原子数量 : 17
  • 复杂度 : 250
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.1
  • 拓扑分子极性表面积 : 28.2Ų