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

C19H21BrN2O2 — CID 18120422

IUPAC2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C19H21BrN2O2/c1-15-3-2-4-17(13-15)21-9-11-22(12-10-21)19(23)14-24-18-7-5-16(20)6-8-18/h2-8,13H,9-12,14H2,1H3
InChIKeyVYWUHZVRDCWJPO-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.49
Rot. Bonds4

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

2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 18120422) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID18120422
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C19H21BrN2O2/c1-15-3-2-4-17(13-15)21-9-11-22(12-10-21)19(23)14-24-18-7-5-16(20)6-8-18/h2-8,13H,9-12,14H2,1H3
InChIKeyVYWUHZVRDCWJPO-UHFFFAOYSA-N
XLogP3.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(4-benzoylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41162791
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanone
CID 112978210
2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110756055
4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 78878555
2-(4-bromophenoxy)-1-[4-[2-(4-bromophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 4961230
2-(4-chloro-2-methylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120423
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 17193886
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-methylphenoxy)acetate
CID 8910389
2-(4-acetyl-2-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 27041250
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110294235

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (CID 18120422) is 2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is VYWUHZVRDCWJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-15-3-2-4-17(13-15)21-9-11-22(12-10-21)19(23)14-24-18-7-5-16(20)6-8-18/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 389.29 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 18120422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).