DVQ

2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol

Created:2018-02-02
Last modified:  2018-06-06

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count30
Aromatic Bond Count0
2D diagram of DVQ

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Chemical Component Summary

Name2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
Systematic Name (OpenEye OEToolkits)2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
FormulaC8 H18 N2 O2
Molecular Weight174.241
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385OCCN1CCN(CCO)CC1
SMILESOpenEye OEToolkits2.0.6C1CN(CCN1CCO)CCO
Canonical SMILESCACTVS3.385 OCCN1CCN(CCO)CC1
Canonical SMILESOpenEye OEToolkits2.0.6 C1CN(CCN1CCO)CCO
InChIInChI1.03 InChI=1S/C8H18N2O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h11-12H,1-8H2
InChIKeyInChI1.03 VARKIGWTYBUWNT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 67151
ChEMBL CHEMBL118235
CCDC/CSD JOTKOS, PEJPEB, JIYHAD