1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one

C10H21N3O — CID 144808257

IUPAC1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(N)CC1
InChIInChI=1S/C10H21N3O/c1-10(2,3)8-9(14)12-4-6-13(11)7-5-12/h4-8,11H2,1-3H3
InChIKeyFVLIITVEBQASEG-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.44
Rot. Bonds1

About 1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one

1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 144808257) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID144808257
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(N)CC1
InChIInChI=1S/C10H21N3O/c1-10(2,3)8-9(14)12-4-6-13(11)7-5-12/h4-8,11H2,1-3H3
InChIKeyFVLIITVEBQASEG-UHFFFAOYSA-N
XLogP0.44
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,3-dimethylbutanoyl)piperazine-1-carbothioamide
CID 59072038
1-(4-acetyl-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
CID 110738741
1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one
CID 166255184
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012843
1-[4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 108569704
1-(4-aminopiperazin-1-yl)-2-hydroxyethanone
CID 123367646
methyl 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817886
3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 71782653
1-[4-(4-aminophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43461583
3,3-dimethyl-1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]butan-1-one
CID 90142666
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 70906866
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012386

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one (CID 144808257) is 1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCN(N)CC1.
What is the InChIKey of 1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is FVLIITVEBQASEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,3)8-9(14)12-4-6-13(11)7-5-12/h4-8,11H2,1-3H3.
What are the key properties of 1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one?
1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 199.30 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 144808257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).