2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone

C18H19BrN2O — CID 1212243

IUPAC2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H19BrN2O/c19-16-8-6-15(7-9-16)14-18(22)21-12-10-20(11-13-21)17-4-2-1-3-5-17/h1-9H,10-14H2
InChIKeyGIYUQOFNAAUSHX-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.34
Rot. Bonds3

About 2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 1212243) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID1212243
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H19BrN2O/c19-16-8-6-15(7-9-16)14-18(22)21-12-10-20(11-13-21)17-4-2-1-3-5-17/h1-9H,10-14H2
InChIKeyGIYUQOFNAAUSHX-UHFFFAOYSA-N
XLogP3.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-1-(4-phenylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 1212243) is 2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone is O=C(Cc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is GIYUQOFNAAUSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c19-16-8-6-15(7-9-16)14-18(22)21-12-10-20(11-13-21)17-4-2-1-3-5-17/h1-9H,10-14H2.
What are the key properties of 2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 359.27 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 1212243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).