4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one

C17H26N2O — CID 83922020

IUPAC4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
SMILESCc1cccc(CCC(C)C(=O)N2CCNCC2)c1C
InChIInChI=1S/C17H26N2O/c1-13-5-4-6-16(15(13)3)8-7-14(2)17(20)19-11-9-18-10-12-19/h4-6,14,18H,7-12H2,1-3H3
InChIKeyUVSGHZULZMWUOS-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.30
Rot. Bonds4

About 4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one

4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one (PubChem CID 83922020) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
PubChem CID83922020
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
SMILESCc1cccc(CCC(C)C(=O)N2CCNCC2)c1C
InChIInChI=1S/C17H26N2O/c1-13-5-4-6-16(15(13)3)8-7-14(2)17(20)19-11-9-18-10-12-19/h4-6,14,18H,7-12H2,1-3H3
InChIKeyUVSGHZULZMWUOS-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-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

4-(2,3-dimethylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83922013
1-(1,4-diazepan-1-yl)-4-(2-fluorophenyl)-2-methylbutan-1-one;hydrochloride
CID 119415154
2-methyl-4-[2-(2-methylpropoxy)phenyl]-1-piperazin-1-ylbutan-1-one
CID 83932443
4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83932209
4-(5-chlorothiophen-2-yl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83934884
4-(2-hydroxy-6-methylphenyl)-1-piperazin-1-ylpentan-1-one
CID 83923767
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 3296899
4-(2-fluoro-4,5-dimethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83922731
6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
CID 65292866
1,2-dimethyl-3-(3-methylbutyl)benzene
CID 86189898
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 110833337

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one (CID 83922020) is 4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one is Cc1cccc(CCC(C)C(=O)N2CCNCC2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one?
The InChIKey is UVSGHZULZMWUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-5-4-6-16(15(13)3)8-7-14(2)17(20)19-11-9-18-10-12-19/h4-6,14,18H,7-12H2,1-3H3.
What are the key properties of 4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one?
4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 83922020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).