1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene

C21H27FN2O — CID 144750411

IUPAC1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene
SMILESCC(=O)N1CCN(c2cccc(C)c2C)CC1.Cc1ccccc1F
InChIInChI=1S/C14H20N2O.C7H7F/c1-11-5-4-6-14(12(11)2)16-9-7-15(8-10-16)13(3)17;1-6-4-2-3-5-7(6)8/h4-6H,7-10H2,1-3H3;2-5H,1H3
InChIKeySSWANXKTWHIXQQ-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.11
Rot. Bonds1

About 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene (PubChem CID 144750411) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene
PubChem CID144750411
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene
SMILESCC(=O)N1CCN(c2cccc(C)c2C)CC1.Cc1ccccc1F
InChIInChI=1S/C14H20N2O.C7H7F/c1-11-5-4-6-14(12(11)2)16-9-7-15(8-10-16)13(3)17;1-6-4-2-3-5-7(6)8/h4-6H,7-10H2,1-3H3;2-5H,1H3
InChIKeySSWANXKTWHIXQQ-UHFFFAOYSA-N
XLogP4.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene 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-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113162197
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 17451155
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 1305709
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 17438368
(2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460053
1-[4-[2-(aminomethyl)-3-fluorophenyl]piperazin-1-yl]ethanone
CID 79516677
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene (CID 144750411) is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene is CC(=O)N1CCN(c2cccc(C)c2C)CC1.Cc1ccccc1F.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene?
The InChIKey is SSWANXKTWHIXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.C7H7F/c1-11-5-4-6-14(12(11)2)16-9-7-15(8-10-16)13(3)17;1-6-4-2-3-5-7(6)8/h4-6H,7-10H2,1-3H3;2-5H,1H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene?
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene has a molecular weight of 342.46 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene is sourced from PubChem (CID 144750411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).