1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one

C15H22N2O — CID 82064821

IUPAC1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C15H22N2O/c1-12-3-4-14(13(2)11-12)15(18)5-8-17-9-6-16-7-10-17/h3-4,11,16H,5-10H2,1-2H3
InChIKeyKSQFFHXDNKHAFJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.78
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82064821) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
PubChem CID82064821
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C15H22N2O/c1-12-3-4-14(13(2)11-12)15(18)5-8-17-9-6-16-7-10-17/h3-4,11,16H,5-10H2,1-2H3
InChIKeyKSQFFHXDNKHAFJ-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-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-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one
CID 82484142
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride
CID 45108470
1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264527
1-(6-methyl-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
CID 96679275
N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
CID 28807910
3-(1,4-diazepan-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-one
CID 82136479
1-(4-bromo-3-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264457
1-(2,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050255
4-(2,5-dimethylphenyl)-4-oxo-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392750
1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one
CID 10667020
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one (CID 82064821) is 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one is Cc1ccc(C(=O)CCN2CCNCC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is KSQFFHXDNKHAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-3-4-14(13(2)11-12)15(18)5-8-17-9-6-16-7-10-17/h3-4,11,16H,5-10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one?
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 246.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82064821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).