5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one

C13H18N2O — CID 117024041

IUPAC5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CC(=O)NCC2(C)C)cc1
InChIInChI=1S/C13H18N2O/c1-10-4-6-11(7-5-10)15-8-12(16)14-9-13(15,2)3/h4-7H,8-9H2,1-3H3,(H,14,16)
InChIKeyHZQPVTOUOVKOCG-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.71
Rot. Bonds1

About 5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one

5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one (PubChem CID 117024041) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one
PubChem CID117024041
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CC(=O)NCC2(C)C)cc1
InChIInChI=1S/C13H18N2O/c1-10-4-6-11(7-5-10)15-8-12(16)14-9-13(15,2)3/h4-7H,8-9H2,1-3H3,(H,14,16)
InChIKeyHZQPVTOUOVKOCG-UHFFFAOYSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-4-(4-methylphenyl)piperazin-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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one (CID 117024041) is 5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one is Cc1ccc(N2CC(=O)NCC2(C)C)cc1.
What is the InChIKey of 5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one?
The InChIKey is HZQPVTOUOVKOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-6-11(7-5-10)15-8-12(16)14-9-13(15,2)3/h4-7H,8-9H2,1-3H3,(H,14,16).
What are the key properties of 5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one?
5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 117024041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).