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

C18H19BrN2O2 — CID 2427846

IUPAC2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H19BrN2O2/c19-15-7-5-14(6-8-15)13-18(23)21-11-9-20(10-12-21)16-3-1-2-4-17(16)22/h1-8,22H,9-13H2
InChIKeyDUGPGADQQHRJKX-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.05
Rot. Bonds3

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

2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone (PubChem CID 2427846) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
PubChem CID2427846
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H19BrN2O2/c19-15-7-5-14(6-8-15)13-18(23)21-11-9-20(10-12-21)16-3-1-2-4-17(16)22/h1-8,22H,9-13H2
InChIKeyDUGPGADQQHRJKX-UHFFFAOYSA-N
XLogP3.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone (CID 2427846) is 2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone is O=C(Cc1ccc(Br)cc1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is DUGPGADQQHRJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-15-7-5-14(6-8-15)13-18(23)21-11-9-20(10-12-21)16-3-1-2-4-17(16)22/h1-8,22H,9-13H2.
What are the key properties of 2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone?
2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 375.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 2427846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).