1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine

C17H18BrFN2 — CID 64834543

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine
SMILESFc1cc(Br)ccc1CN1CCNCC1c1ccccc1
InChIInChI=1S/C17H18BrFN2/c18-15-7-6-14(16(19)10-15)12-21-9-8-20-11-17(21)13-4-2-1-3-5-13/h1-7,10,17,20H,8-9,11-12H2
InChIKeyOZPPSFDTSSOTPS-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.73
Rot. Bonds3

About 1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine

1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine (PubChem CID 64834543) has the molecular formula C17H18BrFN2 and a molecular weight of 349.25 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine
PubChem CID64834543
Molecular FormulaC17H18BrFN2
Molecular Weight349.25 g/mol
Exact Mass348.06
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine
SMILESFc1cc(Br)ccc1CN1CCNCC1c1ccccc1
InChIInChI=1S/C17H18BrFN2/c18-15-7-6-14(16(19)10-15)12-21-9-8-20-11-17(21)13-4-2-1-3-5-13/h1-7,10,17,20H,8-9,11-12H2
InChIKeyOZPPSFDTSSOTPS-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine 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-(3-fluoropropyl)-2-phenylpiperazine
CID 81114300
1-benzyl-2-(4-chlorophenyl)piperazine
CID 22074529
1-[(2-bromophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910651
1-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120755297
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
2-(4-bromophenyl)-1-ethylpiperazine
CID 82305436
8-[(2-phenylpiperazin-1-yl)methyl]isoquinoline
CID 166267423
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
trimethyl-[(2-phenylpiperazin-1-yl)methyl]silane
CID 10444724
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine (CID 64834543) is 1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine is Fc1cc(Br)ccc1CN1CCNCC1c1ccccc1.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine?
The InChIKey is OZPPSFDTSSOTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2/c18-15-7-6-14(16(19)10-15)12-21-9-8-20-11-17(21)13-4-2-1-3-5-13/h1-7,10,17,20H,8-9,11-12H2.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine?
1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine has a molecular weight of 349.25 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine is sourced from PubChem (CID 64834543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).