1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one

C11H22N2O2 — CID 112546859

IUPAC1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one
SMILESCCN1CC(C)N(CCC(C)O)CC1=O
InChIInChI=1S/C11H22N2O2/c1-4-12-7-9(2)13(8-11(12)15)6-5-10(3)14/h9-10,14H,4-8H2,1-3H3
InChIKeyKTOLULPRUOLNQH-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.31
Rot. Bonds4

About 1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one

1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one (PubChem CID 112546859) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one
PubChem CID112546859
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one
SMILESCCN1CC(C)N(CCC(C)O)CC1=O
InChIInChI=1S/C11H22N2O2/c1-4-12-7-9(2)13(8-11(12)15)6-5-10(3)14/h9-10,14H,4-8H2,1-3H3
InChIKeyKTOLULPRUOLNQH-UHFFFAOYSA-N
XLogP0.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4,5-dimethylpiperazin-2-one
CID 156824665
(5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one
CID 168820502
tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate
CID 90740557
(4R)-1-ethyl-3,4-dimethylimidazolidin-2-one
CID 178098960
1-(4-aminopentyl)-4-ethylpiperazine-2,5-dione
CID 79937575
1-(5-hydroxyhexyl)-4-methylpyrrolidin-2-one
CID 63101369
diethyl 2-[[(2S)-4-ethyl-2-methyl-5-oxopiperazin-1-yl]methylidene]propanedioate
CID 68865327
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione
CID 79936808
(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol
CID 124524922
3-ethyl-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 557465
1-ethyl-5-methylpiperidine-2,4-dione
CID 14800179

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one?
The IUPAC name of 1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one (CID 112546859) is 1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one.
What is the SMILES notation for 1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one?
The canonical SMILES for 1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one is CCN1CC(C)N(CCC(C)O)CC1=O.
What is the InChIKey of 1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one?
The InChIKey is KTOLULPRUOLNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-12-7-9(2)13(8-11(12)15)6-5-10(3)14/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one?
1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-hydroxybutyl)-5-methylpiperazin-2-one is sourced from PubChem (CID 112546859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).