3-(2-hydroxyethyl)piperazin-2-one

C6H12N2O2 — CID 23008991

IUPAC3-(2-hydroxyethyl)piperazin-2-one
SMILESO=C1NCCNC1CCO
InChIInChI=1S/C6H12N2O2/c9-4-1-5-6(10)8-3-2-7-5/h5,7,9H,1-4H2,(H,8,10)
InChIKeyBPSUTPWFOVDISE-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.54
Rot. Bonds2

About 3-(2-hydroxyethyl)piperazin-2-one

3-(2-hydroxyethyl)piperazin-2-one (PubChem CID 23008991) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)piperazin-2-one
PubChem CID23008991
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-(2-hydroxyethyl)piperazin-2-one
SMILESO=C1NCCNC1CCO
InChIInChI=1S/C6H12N2O2/c9-4-1-5-6(10)8-3-2-7-5/h5,7,9H,1-4H2,(H,8,10)
InChIKeyBPSUTPWFOVDISE-UHFFFAOYSA-N
XLogP-1.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)piperazin-2-one?
The IUPAC name of 3-(2-hydroxyethyl)piperazin-2-one (CID 23008991) is 3-(2-hydroxyethyl)piperazin-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)piperazin-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)piperazin-2-one is O=C1NCCNC1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)piperazin-2-one?
The InChIKey is BPSUTPWFOVDISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c9-4-1-5-6(10)8-3-2-7-5/h5,7,9H,1-4H2,(H,8,10).
What are the key properties of 3-(2-hydroxyethyl)piperazin-2-one?
3-(2-hydroxyethyl)piperazin-2-one has a molecular weight of 144.17 g/mol, XLogP of -1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)piperazin-2-one is sourced from PubChem (CID 23008991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).