4-piperazin-1-ylbutan-2-one

C8H16N2O — CID 20802879

IUPAC4-piperazin-1-ylbutan-2-one
SMILESCC(=O)CCN1CCNCC1
InChIInChI=1S/C8H16N2O/c1-8(11)2-5-10-6-3-9-4-7-10/h9H,2-7H2,1H3
InChIKeyBDVYNFQHIRZASA-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.13
Rot. Bonds3

About 4-piperazin-1-ylbutan-2-one

4-piperazin-1-ylbutan-2-one (PubChem CID 20802879) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-piperazin-1-ylbutan-2-one.

Molecular Properties

Compound Name4-piperazin-1-ylbutan-2-one
PubChem CID20802879
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-piperazin-1-ylbutan-2-one
SMILESCC(=O)CCN1CCNCC1
InChIInChI=1S/C8H16N2O/c1-8(11)2-5-10-6-3-9-4-7-10/h9H,2-7H2,1H3
InChIKeyBDVYNFQHIRZASA-UHFFFAOYSA-N
XLogP-0.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperazin-Aceton-Lsg
CID 19362351
4,4'-(Piperazine-1,4-diyl)bis(butane-2-one)
CID 30377325
1-Methyl-3-propionylpiperazine
CID 3030170
(3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one
CID 135040309
1-Propylpiperidin-1-ium-4-one
CID 7017944
3,3-Dimethyl-1-piperazin-1-YL-butan-2-one
CID 16769368
3-Piperazin-1-ylbutan-2-one
CID 16770120
1-(1-Methylpiperazin-2-YL)ethan-1-one
CID 18712889
3-Methyl-1-piperazin-1-ylbutan-2-one
CID 20596586
4-Methyl-1-piperazin-1-ylpentan-3-one
CID 20596589
4-(2-Aminoethylamino)butan-2-one
CID 20600749
Ethanone, 1-(4-methyl-2-piperazinyl)-
CID 20602965

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylbutan-2-one?
The IUPAC name of 4-piperazin-1-ylbutan-2-one (CID 20802879) is 4-piperazin-1-ylbutan-2-one.
What is the SMILES notation for 4-piperazin-1-ylbutan-2-one?
The canonical SMILES for 4-piperazin-1-ylbutan-2-one is CC(=O)CCN1CCNCC1.
What is the InChIKey of 4-piperazin-1-ylbutan-2-one?
The InChIKey is BDVYNFQHIRZASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(11)2-5-10-6-3-9-4-7-10/h9H,2-7H2,1H3.
What are the key properties of 4-piperazin-1-ylbutan-2-one?
4-piperazin-1-ylbutan-2-one has a molecular weight of 156.23 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylbutan-2-one is sourced from PubChem (CID 20802879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).