2-hydroxy-1-piperazin-1-ylbutan-1-one

C8H16N2O2 — CID 22953084

IUPAC2-hydroxy-1-piperazin-1-ylbutan-1-one
SMILESCCC(O)C(=O)N1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-2-7(11)8(12)10-5-3-9-4-6-10/h7,9,11H,2-6H2,1H3
InChIKeyMSTODKZHLLKJPR-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.81
Rot. Bonds2

About 2-hydroxy-1-piperazin-1-ylbutan-1-one

2-hydroxy-1-piperazin-1-ylbutan-1-one (PubChem CID 22953084) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-hydroxy-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-piperazin-1-ylbutan-1-one
PubChem CID22953084
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-hydroxy-1-piperazin-1-ylbutan-1-one
SMILESCCC(O)C(=O)N1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-2-7(11)8(12)10-5-3-9-4-6-10/h7,9,11H,2-6H2,1H3
InChIKeyMSTODKZHLLKJPR-UHFFFAOYSA-N
XLogP-0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-1-butyl-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 16745891
2-Hydroxy-1-(piperazin-1-yl)propan-1-one
CID 13460159
(2S)-2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
CID 92860491
1-(4-Methyl-1-piperazinyl)-1-oxo-2-propanol
CID 550878
2-Methoxy-1-(piperazin-1-yl)propan-1-one
CID 10749719
(2S)-N-[2-(dimethylamino)ethyl]-2-hydroxypropanamide
CID 45088636
(2S)-2-hydroxy-N-[2-[[(2S)-2-hydroxypropanoyl]amino]ethyl]propanamide
CID 135040049
Lactamide, N-(3-(dibutylamino)propyl)-
CID 3030790
Lactamide, N-(4-(diethylamino)butyl)-
CID 3030791
1-[4-(2-Hydroxybutyl)piperazin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 53623426
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 95349351
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 95349352

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 2-hydroxy-1-piperazin-1-ylbutan-1-one (CID 22953084) is 2-hydroxy-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 2-hydroxy-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 2-hydroxy-1-piperazin-1-ylbutan-1-one is CCC(O)C(=O)N1CCNCC1.
What is the InChIKey of 2-hydroxy-1-piperazin-1-ylbutan-1-one?
The InChIKey is MSTODKZHLLKJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-7(11)8(12)10-5-3-9-4-6-10/h7,9,11H,2-6H2,1H3.
What are the key properties of 2-hydroxy-1-piperazin-1-ylbutan-1-one?
2-hydroxy-1-piperazin-1-ylbutan-1-one has a molecular weight of 172.23 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 22953084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).