2-(4-(4-Nitrophenyl)Piperazin-1-Yl)Ethanol 2-[4-(4-硝基苯基)哌嗪]-1-乙醇

CAS 5521-38-0 MFCD00511837

化学结构图

5521-38-0
SMILES: O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1

化学属性

Mol. FormulaC12H17N3O3
Mol. Weight251.28
Melting Point97-99 °C
Boiling Point445.6±45.0 °C at 760 mmHg

别名和识别编码

Chemical Name2-(4-(4-Nitrophenyl)Piperazin-1-Yl)Ethanol
CAS Number5521-38-0
Alfabeta NameNITROPHENYLPIPERAZINOETHANOL 2441[]()-----
MDL NumberMFCD00511837
Chemical Name Translation2-[4-(4-硝基苯基)哌嗪]-1-乙醇
LabNetwork Molecule IDLN00148764
PubChem Substance ID2763936
InChIInChI=1S/C12H17N3O3/c16-10-9-13-5-7-14(8-6-13)11-1-3-12(4-2-11)15(17)18/h1-4,16H,5-10H2
Synonym 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol {LY} 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol {} {LY} 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol {} {} {LY} 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol {} {} {} {LY} 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol {} {} {} {} {LY} 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol {} {} {} {} {} {LY} 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol {} {} {} {} {} {} {LY} 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol {} {} {} {} {} {} {} {LY} 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol {} {} {} {} {} {} {} {} {LY} 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol {} {} {} {} {} {} {} {} {} {LY} 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-(4-Nitrophenyl)piperazin-1-yl)ethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(4-(4-Nitrophenyl)piperazin-1-yl
Canonical SMILESC1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CCO
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分类

  • {KO} Nitros
  • {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
3
H-bond Donors
1
LogP
1

系列性分类

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