(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone

C15H22N2O — CID 120572277

IUPAC(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCNC(C)C2C)c1
InChIInChI=1S/C15H22N2O/c1-10-5-6-11(2)14(9-10)15(18)17-8-7-16-12(3)13(17)4/h5-6,9,12-13,16H,7-8H2,1-4H3
InChIKeyLJZXLDPUXTWAKQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.13
Rot. Bonds1

About (2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone

(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone (PubChem CID 120572277) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
PubChem CID120572277
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCNC(C)C2C)c1
InChIInChI=1S/C15H22N2O/c1-10-5-6-11(2)14(9-10)15(18)17-8-7-16-12(3)13(17)4/h5-6,9,12-13,16H,7-8H2,1-4H3
InChIKeyLJZXLDPUXTWAKQ-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone 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

(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704843
(2,3-dimethylpiperazin-1-yl)-(3-iodo-4-methylphenyl)methanone
CID 120570666
(2,4-difluoro-5-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571461
(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818
(2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120572283
(2,3-dimethylpiperazin-1-yl)-(2-methyl-4-nitrophenyl)methanone;hydrochloride
CID 120570541
(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570274
(2,3-dimethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 120569646
(2,3-dimethylpiperazin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 120569604
(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120573035
(2-chloro-4-fluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120573234
(4-bromo-2-fluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570706

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone (CID 120572277) is (2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone is Cc1ccc(C)c(C(=O)N2CCNC(C)C2C)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is LJZXLDPUXTWAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-5-6-11(2)14(9-10)15(18)17-8-7-16-12(3)13(17)4/h5-6,9,12-13,16H,7-8H2,1-4H3.
What are the key properties of (2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone?
(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 120572277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).