1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one

C11H22N2O3 — CID 131941282

IUPAC1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one
SMILESCCCCN1CCN(CC(O)CO)CC1=O
InChIInChI=1S/C11H22N2O3/c1-2-3-4-13-6-5-12(8-11(13)16)7-10(15)9-14/h10,14-15H,2-9H2,1H3
InChIKeyPWUUBGRRNGMXKC-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.72
Rot. Bonds6

About 1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one

1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one (PubChem CID 131941282) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one.

Molecular Properties

Compound Name1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one
PubChem CID131941282
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one
SMILESCCCCN1CCN(CC(O)CO)CC1=O
InChIInChI=1S/C11H22N2O3/c1-2-3-4-13-6-5-12(8-11(13)16)7-10(15)9-14/h10,14-15H,2-9H2,1H3
InChIKeyPWUUBGRRNGMXKC-UHFFFAOYSA-N
XLogP-0.72
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-4-[(2S)-2-hydroxy-4-propan-2-yloxybutyl]piperazin-2-one
CID 99791521
4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one
CID 130841155
1,4-dibutylpiperazine-2,5-dione
CID 19902955
1-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-2-one
CID 164595271
1-(2,3-dihydroxypropyl)pyrrolidin-3-one
CID 67368319
1-ethyl-4-(2-methylpropyl)piperazin-2-one
CID 117013553
1,4-bis(2,3-dihydroxypropyl)piperazine-2,3-dione
CID 139972938
1-ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol
CID 156741773
1,3-dibutylimidazolidin-2-one
CID 20887
4-butyl-1-methylpiperazin-2-one
CID 117005150
1,3-dipentylimidazolidin-4-one
CID 70598443
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-methylpiperazin-2-one
CID 76684826

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one?
The IUPAC name of 1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one (CID 131941282) is 1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one.
What is the SMILES notation for 1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one?
The canonical SMILES for 1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one is CCCCN1CCN(CC(O)CO)CC1=O.
What is the InChIKey of 1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one?
The InChIKey is PWUUBGRRNGMXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-3-4-13-6-5-12(8-11(13)16)7-10(15)9-14/h10,14-15H,2-9H2,1H3.
What are the key properties of 1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one?
1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one has a molecular weight of 230.31 g/mol, XLogP of -0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one is sourced from PubChem (CID 131941282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).