2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol

C17H19BrN2O — CID 8529069

IUPAC2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H19BrN2O/c18-15-7-5-14(6-8-15)13-19-9-11-20(12-10-19)16-3-1-2-4-17(16)21/h1-8,21H,9-13H2
InChIKeyQCBLJUMVDBODQV-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.48
Rot. Bonds3

About 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol

2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol (PubChem CID 8529069) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol
PubChem CID8529069
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H19BrN2O/c18-15-7-5-14(6-8-15)13-19-9-11-20(12-10-19)16-3-1-2-4-17(16)21/h1-8,21H,9-13H2
InChIKeyQCBLJUMVDBODQV-UHFFFAOYSA-N
XLogP3.48
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol 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-benzylpiperazin-1-yl)-5-bromophenol
CID 46737219
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]phenol
CID 27156309
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide
CID 25329756
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenol
CID 23081158
2-[4-benzyl-7-[[2-(hydroxymethyl)phenyl]methyl]-1,4,7-triazonan-1-yl]phenol
CID 142081994
2-[4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]phenyl]benzonitrile
CID 25343963
N-[(4-bromophenyl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111977341
2-(4-benzylpiperazin-1-yl)-5-bromoaniline
CID 11544746
1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine
CID 130302892
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol (CID 8529069) is 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol is Oc1ccccc1N1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol?
The InChIKey is QCBLJUMVDBODQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c18-15-7-5-14(6-8-15)13-19-9-11-20(12-10-19)16-3-1-2-4-17(16)21/h1-8,21H,9-13H2.
What are the key properties of 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol?
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol has a molecular weight of 347.26 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 8529069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).