1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one

C12H25N3O — CID 63341069

IUPAC1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCCC(CN)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-4-11(9-13)14-5-7-15(8-6-14)12(16)10(2)3/h10-11H,4-9,13H2,1-3H3
InChIKeyABMATDQFFYETSY-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.52
Rot. Bonds4

About 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 63341069) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID63341069
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCCC(CN)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-4-11(9-13)14-5-7-15(8-6-14)12(16)10(2)3/h10-11H,4-9,13H2,1-3H3
InChIKeyABMATDQFFYETSY-UHFFFAOYSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63341204
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one
CID 43252147
2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one
CID 110012464
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide
CID 63340524
[4-(1-aminobutan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000181
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide
CID 63340654
1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 148838219
4-(1-aminobutan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 116658138
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol
CID 65278022
1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-2,3-dimethylpentan-1-one
CID 110021753
2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one;hydrochloride
CID 110012457

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one (CID 63341069) is 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one is CCC(CN)N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is ABMATDQFFYETSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-11(9-13)14-5-7-15(8-6-14)12(16)10(2)3/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 227.35 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 63341069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).