2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone

C14H20N2O — CID 888974

IUPAC2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H20N2O/c1-12-3-5-13(6-4-12)11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3
InChIKeyGISGQCIMCOBQEI-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.31
Rot. Bonds2

About 2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone

2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 888974) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID888974
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H20N2O/c1-12-3-5-13(6-4-12)11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3
InChIKeyGISGQCIMCOBQEI-UHFFFAOYSA-N
XLogP1.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone (CID 888974) is 2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone is Cc1ccc(CC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is GISGQCIMCOBQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12-3-5-13(6-4-12)11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 232.33 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 888974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).