3-hydroxy-1-piperazin-1-ylbutan-1-one

C8H16N2O2 — CID 10583332

IUPAC3-hydroxy-1-piperazin-1-ylbutan-1-one
SMILESCC(O)CC(=O)N1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-7(11)6-8(12)10-4-2-9-3-5-10/h7,9,11H,2-6H2,1H3
InChIKeyPOZPJSYZJHSIIO-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.81
Rot. Bonds2

About 3-hydroxy-1-piperazin-1-ylbutan-1-one

3-hydroxy-1-piperazin-1-ylbutan-1-one (PubChem CID 10583332) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-hydroxy-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-piperazin-1-ylbutan-1-one
PubChem CID10583332
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-hydroxy-1-piperazin-1-ylbutan-1-one
SMILESCC(O)CC(=O)N1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-7(11)6-8(12)10-4-2-9-3-5-10/h7,9,11H,2-6H2,1H3
InChIKeyPOZPJSYZJHSIIO-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

4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
3-methoxy-1-piperazin-1-ylbutan-1-one
CID 82504294
(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one
CID 93256892
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
2-amino-4-oxo-4-piperazin-1-ylbutanoic acid
CID 70945873
4,4,4-trifluoro-1-piperazin-1-yl-3-(trifluoromethyl)butan-1-one
CID 84714810
(3R)-1-(1,4-diazepan-1-yl)-3,5,5-trimethylhexan-1-one
CID 93256894
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 54408346
1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one
CID 62544723
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 3-hydroxy-1-piperazin-1-ylbutan-1-one (CID 10583332) is 3-hydroxy-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 3-hydroxy-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 3-hydroxy-1-piperazin-1-ylbutan-1-one is CC(O)CC(=O)N1CCNCC1.
What is the InChIKey of 3-hydroxy-1-piperazin-1-ylbutan-1-one?
The InChIKey is POZPJSYZJHSIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(11)6-8(12)10-4-2-9-3-5-10/h7,9,11H,2-6H2,1H3.
What are the key properties of 3-hydroxy-1-piperazin-1-ylbutan-1-one?
3-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 3-hydroxy-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 10583332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).