(4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

C18H18BrFN2O — CID 19323342

IUPAC(4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H18BrFN2O/c19-16-5-3-15(4-6-16)18(23)22-11-9-21(10-12-22)13-14-1-7-17(20)8-2-14/h1-8H,9-13H2
InChIKeyZHGYXYJIEHIAPK-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.55
Rot. Bonds3

About (4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

(4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19323342) has the molecular formula C18H18BrFN2O and a molecular weight of 377.26 g/mol. Its IUPAC name is (4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19323342
Molecular FormulaC18H18BrFN2O
Molecular Weight377.26 g/mol
Exact Mass376.06
IUPAC Name(4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H18BrFN2O/c19-16-5-3-15(4-6-16)18(23)22-11-9-21(10-12-22)13-14-1-7-17(20)8-2-14/h1-8H,9-13H2
InChIKeyZHGYXYJIEHIAPK-UHFFFAOYSA-N
XLogP3.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone 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

N,N'-dibenzoylpiperazine
CID 80185
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
N-(2-aminoethyl)-4-bromobenzamide
CID 10847785
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
4-(2-Phenylethyl)piperazinyl 3-(trifluoromethyl)phenyl ketone
CID 1245665
1-Benzoyl-4-(2-phenylethyl)piperazine
CID 2971413
4-fluoro-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 4784804
N-Benzyl-2-bromo-N-methylbenzamide
CID 614171
2-(4-Benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone
CID 664759
n-Benzyl-4-bromobenzamide
CID 781117
4-bromo-N,N-diethylbenzamide
CID 4498254
Bromadoline
CID 54753

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 19323342) is (4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccc(Br)cc1)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of (4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is ZHGYXYJIEHIAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O/c19-16-5-3-15(4-6-16)18(23)22-11-9-21(10-12-22)13-14-1-7-17(20)8-2-14/h1-8H,9-13H2.
What are the key properties of (4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
(4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 377.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19323342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).