EPE

4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID

Created:	1999-07-08
Last modified:	2024-09-27

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1,499 entries where EPE is found as a standalone ligand5 entries where EPE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	0

2D diagram of EPE

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Chemical Component Summary
Name	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Synonyms	HEPES
Systematic Name (OpenEye OEToolkits)	2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
Formula	C₈ H₁₈ N₂ O₄ S
Molecular Weight	238.305
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(O)CCN1CCN(CCO)CC1
SMILES	CACTVS	3.341	OCCN1CCN(CC1)CC[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.5.0	C1CN(CCN1CCO)CCS(=O)(=O)O
Canonical SMILES	CACTVS	3.341	OCCN1CCN(CC1)CC[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1CN(CCN1CCO)CCS(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKey	InChI	1.03	JKMHFZQWWAIEOD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB16872
Name	HEPES
Groups	investigational
Synonyms	4-(2-Hydroxyethyl)-1-piperazineethane sulphonic acid HEPES 4-(2-Hydroxyethyl)-1-piperazineethane sulfonic acid
Categories	Alkanes Alkanesulfonic Acids Buffers Compounds used in a research, industrial, or household setting Hydrocarbons, Acyclic Laboratory Chemicals Piperazines Sulfonic Acids Sulfur Acids Sulfur Compounds
CAS number	7365-45-9

Related Resource References

Resource Name	Reference
PubChem	23830, 3275884, 23831
ChEMBL	CHEMBL1232545
ChEBI	CHEBI:42334, CHEBI:46755
CCDC/CSD	WIRMOZ01
COD	2204073

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