1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one

C13H26N2O — CID 63609263

IUPAC1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
SMILESCCN1CCN(CC(=O)C(C)(C)C)CC1C
InChIInChI=1S/C13H26N2O/c1-6-15-8-7-14(9-11(15)2)10-12(16)13(3,4)5/h11H,6-10H2,1-5H3
InChIKeyWZJAOJBZDCVJMV-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds3

About 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one

1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one (PubChem CID 63609263) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
PubChem CID63609263
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
SMILESCCN1CCN(CC(=O)C(C)(C)C)CC1C
InChIInChI=1S/C13H26N2O/c1-6-15-8-7-14(9-11(15)2)10-12(16)13(3,4)5/h11H,6-10H2,1-5H3
InChIKeyWZJAOJBZDCVJMV-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-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

3-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethylpropanoic acid
CID 63621092
4-(4-ethyl-3-methylpiperazin-1-yl)but-2-enoic acid
CID 77000705
1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 104750771
ethyl 4-(4-ethyl-3-methylpiperazin-1-yl)-3-oxobutanoate
CID 63897380
butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate
CID 63609586
2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 63611158
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoic acid
CID 63633318
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]benzoic acid
CID 63609405
1-(2,5-dichlorothiophen-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 55216582
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 63609430
1-(3,4-dihydroxyphenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 63608893
4-[2-(azetidin-3-ylidene)propyl]-1-ethyl-2-methylpiperazine
CID 116680044

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one (CID 63609263) is 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one is CCN1CCN(CC(=O)C(C)(C)C)CC1C.
What is the InChIKey of 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one?
The InChIKey is WZJAOJBZDCVJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-15-8-7-14(9-11(15)2)10-12(16)13(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one?
1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one has a molecular weight of 226.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 63609263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).