Chemical Components in the PDB

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DVQ : Summary

Code

DVQ

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol

Formula

C8 H18 N2 O2

Formal charge

0

Molecular weight

174.241 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OCCN1CCN(CCO)CC1
SMILES OpenEye OEToolkits 2.0.6 C1CN(CCN1CCO)CCO
Canonical SMILES CACTVS 3.385 OCCN1CCN(CCO)CC1
Canonical SMILES OpenEye OEToolkits 2.0.6 C1CN(CCN1CCO)CCO

IUPAC InChI

InChI=1S/C8H18N2O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h11-12H,1-8H2

IUPAC InChI key

VARKIGWTYBUWNT-UHFFFAOYSA-N
DVQ

wwPDB Information

Atom count

30 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-02-02

Last modified at

2018-06-01

Status

Released

Obsoleted

Not Assigned