1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one

C10H18N2O — CID 79659147

IUPAC1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one
SMILESC=CCC(=O)C1CN(C)CCN1C
InChIInChI=1S/C10H18N2O/c1-4-5-10(13)9-8-11(2)6-7-12(9)3/h4,9H,1,5-8H2,2-3H3
InChIKeyJPGGPQRARVCUAY-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.38
Rot. Bonds3

About 1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one

1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one (PubChem CID 79659147) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one
PubChem CID79659147
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one
SMILESC=CCC(=O)C1CN(C)CCN1C
InChIInChI=1S/C10H18N2O/c1-4-5-10(13)9-8-11(2)6-7-12(9)3/h4,9H,1,5-8H2,2-3H3
InChIKeyJPGGPQRARVCUAY-UHFFFAOYSA-N
XLogP0.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-prop-2-enyl-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazin-2-yl]ethanone
CID 18598236
1-[1-pentyl-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazin-2-yl]ethanone
CID 18598242
1-[1-Prop-2-enyl-4-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)piperazin-2-yl]ethanone
CID 53692528
1-[1-But-2-enyl-4-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)piperazin-2-yl]ethanone
CID 53825221
1-(1,4-Dimethylpiperazin-2-yl)prop-2-en-1-one
CID 54062929
1-[1-Pentyl-4-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)piperazin-2-yl]ethanone
CID 54523621
1-[1-but-2-enyl-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazin-2-yl]ethanone
CID 70471832
1-[4-prop-2-enyl-1-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazin-2-yl]ethanone
CID 70472508
1-Oct-1-en-3-ylpiperidin-4-one
CID 70617366
1-(2-Ethylpiperidin-1-yl)pent-4-en-2-one
CID 89392455
1-Pent-4-en-2-ylpiperidin-4-one
CID 116040929
1-Piperidin-1-ylpent-4-en-2-one
CID 139565718

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one (CID 79659147) is 1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one is C=CCC(=O)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one?
The InChIKey is JPGGPQRARVCUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-5-10(13)9-8-11(2)6-7-12(9)3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one?
1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)but-3-en-1-one is sourced from PubChem (CID 79659147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).