1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine

C18H18BrF3N2 — CID 3259924

IUPAC1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1cccc(C(c2cccc(Br)c2)N2CCNCC2)c1
InChIInChI=1S/C18H18BrF3N2/c19-16-6-2-4-14(12-16)17(24-9-7-23-8-10-24)13-3-1-5-15(11-13)18(20,21)22/h1-6,11-12,17,23H,7-10H2
InChIKeyICBXARPOTFWINS-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.46
Rot. Bonds3

About 1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine

1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 3259924) has the molecular formula C18H18BrF3N2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID3259924
Molecular FormulaC18H18BrF3N2
Molecular Weight399.25 g/mol
Exact Mass398.06
IUPAC Name1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1cccc(C(c2cccc(Br)c2)N2CCNCC2)c1
InChIInChI=1S/C18H18BrF3N2/c19-16-6-2-4-14(12-16)17(24-9-7-23-8-10-24)13-3-1-5-15(11-13)18(20,21)22/h1-6,11-12,17,23H,7-10H2
InChIKeyICBXARPOTFWINS-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine 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-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 4646092
1-[(3-bromophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperazine
CID 3830015
1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179883
1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 92754709
1-[1,3-benzodioxol-5-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 4022492
1-[(3-bromophenyl)-pyridin-4-ylmethyl]piperazine
CID 3592490
1-[(1S)-1-(3-bromophenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171285937
1-[(3-bromophenyl)-phenylmethyl]-1,4-diazepane
CID 3457794
1-[(2,5-dimethyl-1H-pyrrol-3-yl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 174548914
1-[(3-bromophenyl)-(3-fluorophenyl)methyl]-1,4-diazepane
CID 3682200
1-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3776239

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine (CID 3259924) is 1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1cccc(C(c2cccc(Br)c2)N2CCNCC2)c1.
What is the InChIKey of 1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is ICBXARPOTFWINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF3N2/c19-16-6-2-4-14(12-16)17(24-9-7-23-8-10-24)13-3-1-5-15(11-13)18(20,21)22/h1-6,11-12,17,23H,7-10H2.
What are the key properties of 1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 399.25 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 3259924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).