1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one

C11H22N2O2 — CID 164595271

IUPAC1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one
SMILESCC(C)CCN1CCN(CCO)C(=O)C1
InChIInChI=1S/C11H22N2O2/c1-10(2)3-4-12-5-6-13(7-8-14)11(15)9-12/h10,14H,3-9H2,1-2H3
InChIKeyILGOBBTYPMWALA-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.17
Rot. Bonds5

About 1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one

1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one (PubChem CID 164595271) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one
PubChem CID164595271
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one
SMILESCC(C)CCN1CCN(CCO)C(=O)C1
InChIInChI=1S/C11H22N2O2/c1-10(2)3-4-12-5-6-13(7-8-14)11(15)9-12/h10,14H,3-9H2,1-2H3
InChIKeyILGOBBTYPMWALA-UHFFFAOYSA-N
XLogP0.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one
CID 99791521
4-(2-hydroxyethyl)-1-(3-methylpent-3-en-2-yl)piperazin-2-one
CID 123733558
1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
CID 15646785
1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one
CID 131941282
1-ethyl-4-(2-methylpropyl)piperazin-2-one
CID 117013553
5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol
CID 110923815
1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one
CID 176796740
4-[(6-ethyl-3-pyridinyl)methyl]-1-(2-hydroxyethyl)piperazin-2-one
CID 155471385
4-(3-methylbutyl)morpholin-3-one
CID 58222536
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
1-(3-methylbutyl)piperidine-2,5-dione
CID 83696753
(2S)-1-[4-(3-methylbutyl)piperazin-1-yl]propane-2-thiol
CID 58721634

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one (CID 164595271) is 1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one is CC(C)CCN1CCN(CCO)C(=O)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one?
The InChIKey is ILGOBBTYPMWALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2)3-4-12-5-6-13(7-8-14)11(15)9-12/h10,14H,3-9H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one?
1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one is sourced from PubChem (CID 164595271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).