1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one

C14H20N2O — CID 82064813

IUPAC1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)CCN2CCNCC2)cc1
InChIInChI=1S/C14H20N2O/c1-12-2-4-13(5-3-12)14(17)6-9-16-10-7-15-8-11-16/h2-5,15H,6-11H2,1H3
InChIKeyHUWLZRJRCFRLSG-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.47
Rot. Bonds4

About 1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one

1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82064813) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
PubChem CID82064813
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCc1ccc(C(=O)CCN2CCNCC2)cc1
InChIInChI=1S/C14H20N2O/c1-12-2-4-13(5-3-12)14(17)6-9-16-10-7-15-8-11-16/h2-5,15H,6-11H2,1H3
InChIKeyHUWLZRJRCFRLSG-UHFFFAOYSA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)-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-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
1-(4-bromo-3-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264457
3-(1,4-diazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 82064884
3-piperazin-1-yl-1-(4-propylsulfanylphenyl)propan-1-one
CID 82264418
1-(4-methylphenyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 62612643
3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62611633
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 62612666
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 63160197
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 112628840
1-(4-methylphenyl)-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612163

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one (CID 82064813) is 1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one is Cc1ccc(C(=O)CCN2CCNCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is HUWLZRJRCFRLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12-2-4-13(5-3-12)14(17)6-9-16-10-7-15-8-11-16/h2-5,15H,6-11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one?
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 232.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82064813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).