1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone

C19H21BrN2O — CID 113079434

IUPAC1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCN(c2cccc(Br)c2)CC1
InChIInChI=1S/C19H21BrN2O/c1-15-5-2-3-6-16(15)13-19(23)22-11-9-21(10-12-22)18-8-4-7-17(20)14-18/h2-8,14H,9-13H2,1H3
InChIKeyDWZFJPBOFLYFDK-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.65
Rot. Bonds3

About 1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone

1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 113079434) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is 1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID113079434
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCN(c2cccc(Br)c2)CC1
InChIInChI=1S/C19H21BrN2O/c1-15-5-2-3-6-16(15)13-19(23)22-11-9-21(10-12-22)18-8-4-7-17(20)14-18/h2-8,14H,9-13H2,1H3
InChIKeyDWZFJPBOFLYFDK-UHFFFAOYSA-N
XLogP3.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone 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-[(3-bromophenyl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 60614765
1-[4-(3-bromophenyl)piperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 136542143
2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7595587
1-(3-methylphenyl)-3-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea
CID 1057979
1-(4-acetylpiperazin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone
CID 110774438
methyl 4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]benzoate
CID 113078576
[4-(3-bromophenyl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 170459085
1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113079541
2-(2-methylphenyl)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 133300459
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717
4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 133343259
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(2-methylphenyl)methylamino]propan-1-one
CID 109019283

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone (CID 113079434) is 1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CCN(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is DWZFJPBOFLYFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-15-5-2-3-6-16(15)13-19(23)22-11-9-21(10-12-22)18-8-4-7-17(20)14-18/h2-8,14H,9-13H2,1H3.
What are the key properties of 1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone?
1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 373.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 113079434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).