2-[4-(2-Hydroxyethyl)piperazino]-1-(2-thienyl)-1-propanone 2-(4-(2-羟乙基)哌嗪-1-基)-1-(噻吩-2-基)丙-1-酮

CAS 4506-87-0 MFCD02931014

化学结构图

4506-87-0
SMILES: CC(C(=O)c1cccs1)N1CCN(CCO)CC1

化学属性

Mol. FormulaC13H20N2O2S
Mol. Weight268.38
Melting PointOil (°C)

别名和识别编码

Chemical Name2-[4-(2-Hydroxyethyl)piperazino]-1-(2-thienyl)-1-propanone
Alfabeta NameHYDROXYETHYLPIPERAZINOTHIENYLPROPANONE 242121[](())--------
MDL NumberMFCD02931014
CAS Number4506-87-0
LabNetwork Molecule IDLN00149065
Chemical Name Translation2-(4-(2-羟乙基)哌嗪-1-基)-1-(噻吩-2-基)丙-1-酮
PubChem Substance ID43811184
InChIInChI=1S/C13H20N2O2S/c1-11(13(17)12-3-2-10-18-12)15-6-4-14(5-7-15)8-9-16/h2-3,10-11,16H,4-9H2,1H3
Synonym 2-(4-(2-Hydroxyethyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one {LY} 2-(4-(2-Hydroxyethyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one {} {LY} 2-(4-(2-Hydroxyethyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one {} {} {LY} 2-(4-(2-Hydroxyethyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one {} {} {} {LY} 2-(4-(2-Hydroxyethyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one {} {} {} {} {LY} 2-(4-(2-Hydroxyethyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one {} {} {} {} {} {LY} 2-(4-(2-Hydroxyethyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one {} {} {} {} {} {} {LY} 2-(4-(2-Hydroxyethyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one {} {} {} {} {} {} {} {LY} 2-(4-(2-Hydroxyethyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one {} {} {} {} {} {} {} {} {LY} 2-(4-(2-Hydroxyethyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one {} {} {} {} {} {} {} {} {} {LY} 2-(4-(2-Hydroxyethyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-1-one {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-(2-Hydroxyethyl)pipe
Canonical SMILESCC(C(=O)C1=CC=CS1)N2CCN(CC2)CCO
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分类

  • {KO} Ketones
  • {KO} Alcohols

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
5
H-bond Donors
1
LogP
4.091010000000000e-001

系列性分类

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