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

C8H19N2O2+ — CID 22564637

IUPAC2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol
SMILESOCC[N+]1(CCO)CCNCC1
InChIInChI=1S/C8H19N2O2/c11-7-5-10(6-8-12)3-1-9-2-4-10/h9,11-12H,1-8H2/q+1
InChIKeyCKKFQJWRKACMLA-UHFFFAOYSA-N
MW175.25 g/mol
LogP-1.61
Rot. Bonds4

About 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol

2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol (PubChem CID 22564637) has the molecular formula C8H19N2O2+ and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol
PubChem CID22564637
Molecular FormulaC8H19N2O2+
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol
SMILESOCC[N+]1(CCO)CCNCC1
InChIInChI=1S/C8H19N2O2/c11-7-5-10(6-8-12)3-1-9-2-4-10/h9,11-12H,1-8H2/q+1
InChIKeyCKKFQJWRKACMLA-UHFFFAOYSA-N
XLogP-1.61
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol?
The IUPAC name of 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol (CID 22564637) is 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol?
The canonical SMILES for 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol is OCC[N+]1(CCO)CCNCC1.
What is the InChIKey of 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol?
The InChIKey is CKKFQJWRKACMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O2/c11-7-5-10(6-8-12)3-1-9-2-4-10/h9,11-12H,1-8H2/q+1.
What are the key properties of 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol?
2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol has a molecular weight of 175.25 g/mol, XLogP of -1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol is sourced from PubChem (CID 22564637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).