MJB

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Summary

Name:2-piperazin-1-ylethanol
Formula:C6 H14 N2 O
Formal charge:0
Molecular weight:130.188 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-piperazin-1-ylethanol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
InChIKeyInChI1.03WFCSWCVEJLETKA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCCN1CCNCC1
SMILESCACTVS3.385OCCN1CCNCC1
SMILES_CANONICALOpenEye OEToolkits2.0.7C1CN(CCN1)CCO
SMILESOpenEye OEToolkits2.0.7C1CN(CCN1)CCO
170172
PDB entries from 2020-10-21