T6Y

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Summary

Name:1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:C11 H15 Cl N2 O S
Formal charge:0
Molecular weight:258.768 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
OpenEye OEToolkits2.0.71-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1(CCN(CC1)C(C)=O)Cc2ccc(s2)Cl
InChIInChI1.03InChI=1S/C11H15ClN2OS/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(12)16-10/h2-3H,4-8H2,1H3
InChIKeyInChI1.03KIKCPJKIAGFHCO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N1CCN(CC1)Cc2sc(Cl)cc2
SMILESCACTVS3.385CC(=O)N1CCN(CC1)Cc2sc(Cl)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N1CCN(CC1)Cc2ccc(s2)Cl
SMILESOpenEye OEToolkits2.0.7CC(=O)N1CCN(CC1)Cc2ccc(s2)Cl
170172
PDB entries from 2020-10-21