913614-18-3 (4-哌嗪基苯并噻吩盐酸盐,1-(benzothiophen-4-yl)piperazine;hydrochloride)

CAS号:
913614-18-3
中文名称:
4-哌嗪基苯并噻吩盐酸盐
英文名称:
1-(benzothiophen-4-yl)piperazine;hydrochloride
分子式:
C12H15ClN2S
分子量:
254.778900384903

4-哌嗪基苯并噻吩盐酸盐(913614-18-3)名称与标识符

名称

中文别名:
4-哌嗪基苯并噻吩盐酸盐;1-苯并[B]噻吩-4-基哌嗪单盐酸盐;依匹派唑中间体2;4-哌嗪基苯并噻吩盐酸盐 依匹唑派中间体;1-苯并[B]噻吩-4-基-哌嗪盐酸盐;依匹派唑中间体2 4-哌嗪基苯并噻吩盐酸盐;1-(苯并[b]噻吩-4-基)哌嗪盐酸盐;1-(1-苯并噻吩-4-基)哌嗪盐酸盐;4-哌嗪基苯并噻吩盐酸盐 依匹哌唑中间体;依匹唑派杂质 8;
英文别名:
1-Benzo[b]thien-4-ylpiperazine monohydrochloride;Piperazine, 1-benzo[b]thien-4-yl-, hydrochloride;1-Benzo[b]thien-4-yl-piperazine hydrochloride;1-benzo[b]thien-4-yl-;1-benzo[b]thien-4-yl-, hydrochloride;Brexpiprazole Intermediate 2;1-(1-benzothiophen-4-yl)piperazine hydrochloride;7-(4-chlorobutoxy)-1-(4-chlorobutyl)quinolin-2(1H)-one;1-(Benzo[b]thiophen-4-yl)piperazine hydrochloride;1-Benzo[b]thien-4-yl-piperazine Monohydrochloride;Piperazine, 1-benzo[b]thien-4-yl-, hydrochloride (1:1);1-(1-benzothiophen-4-yl)piperazine;hydrochloride;AK171379;1-(4-Benzothienyl)piperazine Hydrochloride;XDUUWPNOUUQXBX-UHFFFAOYSA-N;BCP12824;1-Benzo[b]thien-4-yl-piperazine HCl;SB17588;SY047421;OR305616;Piperazine, 1-benzo[b]thien-4-yl-, monohydrochloride (9CI);4-(1-Piperazinyl)benzo[b]thiophene hydrochloride;1-(benzothiophen-4-yl)piperazine;hydrochloride;

标识符

MDL:
MFCD26743820
InChIKey:
XDUUWPNOUUQXBX-UHFFFAOYSA-N
Inchi:
1S/C12H14N2S.ClH/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1;/h1-4,9,13H,5-8H2;1H
SMILES:
Cl.S1C2C=CC=C(C=2C=C1)N1CCNCC1

4-哌嗪基苯并噻吩盐酸盐(913614-18-3)物化性质

实验特性

  • LogP : 3.50670
  • PSA : 43.51000

计算特性

  • 精确分子量 : 254.06400
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 重原子数量 : 16
  • 复杂度 : 216
  • 拓扑分子极性表面积 : 43.5

4-哌嗪基苯并噻吩盐酸盐(913614-18-3)安全信息

4-哌嗪基苯并噻吩盐酸盐(913614-18-3)合成路线

合成路线:1 步
反应条件:
参考文献:
Synthesis of 1-(benzo[b]thiophen-4-yl)piperazine hydrochloride salt
Anonymous, IP.com Journal, 2016, 16, 1-2
合成路线:1 步
参考文献:
Crystalline forms of intermediates related to 7-(4-(4-(benzo[b]thiophen-4-yl)piperazin-1-yl)butoxy)quinolin-2(1H)-one synthesis
Anonymous, IP.com Journal, 2015, 16, 1-4