4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one

C12H22N2O2 — CID 123733558

IUPAC4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one
SMILESCC=C(C)C(C)N1CCN(CCO)CC1=O
InChIInChI=1S/C12H22N2O2/c1-4-10(2)11(3)14-6-5-13(7-8-15)9-12(14)16/h4,11,15H,5-9H2,1-3H3
InChIKeyVIBHXICIHXPVKF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.48
Rot. Bonds4

About 4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one

4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one (PubChem CID 123733558) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one
PubChem CID123733558
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one
SMILESCC=C(C)C(C)N1CCN(CCO)CC1=O
InChIInChI=1S/C12H22N2O2/c1-4-10(2)11(3)14-6-5-13(7-8-15)9-12(14)16/h4,11,15H,5-9H2,1-3H3
InChIKeyVIBHXICIHXPVKF-UHFFFAOYSA-N
XLogP0.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one
CID 164595271
4-ethyl-1-(1-sulfanylethyl)piperazin-2-one
CID 147733047
1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one
CID 99791521
1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
CID 15646785
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
4-(2-hydroxyethyl)-1,4-diazepan-2-one
CID 14574145
1-ethyl-4-(2-methylpropyl)piperazin-2-one
CID 117013553
5-(2-hydroxyethyl)-1,2,5-dioxazepan-3-one
CID 171396492
1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one
CID 131941282
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol
CID 156741773

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one (CID 123733558) is 4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one is CC=C(C)C(C)N1CCN(CCO)CC1=O.
What is the InChIKey of 4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one?
The InChIKey is VIBHXICIHXPVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-10(2)11(3)14-6-5-13(7-8-15)9-12(14)16/h4,11,15H,5-9H2,1-3H3.
What are the key properties of 4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one?
4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one is sourced from PubChem (CID 123733558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).