1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one

C15H31N3O — CID 63341209

IUPAC1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCCC(CN)N1CCN(C(=O)C(C)(C)CC)CC1
InChIInChI=1S/C15H31N3O/c1-5-7-13(12-16)17-8-10-18(11-9-17)14(19)15(3,4)6-2/h13H,5-12,16H2,1-4H3
InChIKeyDLMUCKJMQFHMLY-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.69
Rot. Bonds6

About 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one

1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one (PubChem CID 63341209) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
PubChem CID63341209
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCCC(CN)N1CCN(C(=O)C(C)(C)CC)CC1
InChIInChI=1S/C15H31N3O/c1-5-7-13(12-16)17-8-10-18(11-9-17)14(19)15(3,4)6-2/h13H,5-12,16H2,1-4H3
InChIKeyDLMUCKJMQFHMLY-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63341204
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 55219660
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 63340947
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012378
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012475
4-(2,2-dimethylbutanoyl)piperazine-1-sulfonamide
CID 62677126
2-(4-ethylsulfonylpiperazin-1-yl)pentan-1-amine
CID 63341361
1-(azepan-1-yl)-2,2-dimethylbutan-1-one
CID 4631423
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340242
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107174637
4-[4-(1-aminopentan-2-yl)piperazin-1-yl]butan-1-ol
CID 55202942
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63343968

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one?
The IUPAC name of 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one (CID 63341209) is 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one is CCCC(CN)N1CCN(C(=O)C(C)(C)CC)CC1.
What is the InChIKey of 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one?
The InChIKey is DLMUCKJMQFHMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-7-13(12-16)17-8-10-18(11-9-17)14(19)15(3,4)6-2/h13H,5-12,16H2,1-4H3.
What are the key properties of 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one?
1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one has a molecular weight of 269.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopentan-2-yl)piperazin-1-yl]-2,2-dimethylbutan-1-one is sourced from PubChem (CID 63341209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).