[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone

C20H24N2O — CID 673636

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C20H24N2O/c1-15-8-6-10-19(17(15)3)21-11-13-22(14-12-21)20(23)18-9-5-4-7-16(18)2/h4-10H,11-14H2,1-3H3
InChIKeyABFRJGNQGQJOAT-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.57
Rot. Bonds2

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 673636) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID673636
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C20H24N2O/c1-15-8-6-10-19(17(15)3)21-11-13-22(14-12-21)20(23)18-9-5-4-7-16(18)2/h4-10H,11-14H2,1-3H3
InChIKeyABFRJGNQGQJOAT-UHFFFAOYSA-N
XLogP3.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)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

[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 113079338
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 4631912
(2-anilinophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 27259352
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 110695733
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 2932834
2-[4-(2-methylbenzoyl)piperazin-1-yl]benzonitrile
CID 113080800
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556281
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 673636) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is ABFRJGNQGQJOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-8-6-10-19(17(15)3)21-11-13-22(14-12-21)20(23)18-9-5-4-7-16(18)2/h4-10H,11-14H2,1-3H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 308.43 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 673636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).