1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine

C14H18BrF3N2O — CID 103193692

IUPAC1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C14H18BrF3N2O/c1-9(2)12-8-19-5-6-20(12)11-4-3-10(15)7-13(11)21-14(16,17)18/h3-4,7,9,12,19H,5-6,8H2,1-2H3
InChIKeyZSFZSKCBYQXZDF-UHFFFAOYSA-N
MW367.21 g/mol
LogP3.78
Rot. Bonds3

About 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine

1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine (PubChem CID 103193692) has the molecular formula C14H18BrF3N2O and a molecular weight of 367.21 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine
PubChem CID103193692
Molecular FormulaC14H18BrF3N2O
Molecular Weight367.21 g/mol
Exact Mass366.06
IUPAC Name1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C14H18BrF3N2O/c1-9(2)12-8-19-5-6-20(12)11-4-3-10(15)7-13(11)21-14(16,17)18/h3-4,7,9,12,19H,5-6,8H2,1-2H3
InChIKeyZSFZSKCBYQXZDF-UHFFFAOYSA-N
XLogP3.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine 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-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine
CID 64931291
1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine
CID 64937670
1-(4-bromo-2-chlorophenyl)-2-propan-2-ylpiperazine
CID 64932285
1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine
CID 64931294
1-(2,4-dimethoxyphenyl)-2-propan-2-ylpiperazine
CID 64938228
1-(2-methoxyphenyl)-2-propan-2-ylpiperazine
CID 64938034
1-(2-bromo-5-chlorophenyl)-2-propan-2-ylpiperazine
CID 81272673
1-[(1R)-1-[5-bromo-2-(trifluoromethoxy)phenyl]ethyl]piperazine;hydrochloride
CID 171170877
1-[4-methyl-3-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine
CID 64932305
1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole
CID 103193574
1-(2-iodophenyl)-2-propan-2-ylpiperazine
CID 64932087
1-[4-bromo-2-(trifluoromethoxy)phenyl]-3-propylpiperazine
CID 103193691

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine?
The IUPAC name of 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine (CID 103193692) is 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine is CC(C)C1CNCCN1c1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine?
The InChIKey is ZSFZSKCBYQXZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2O/c1-9(2)12-8-19-5-6-20(12)11-4-3-10(15)7-13(11)21-14(16,17)18/h3-4,7,9,12,19H,5-6,8H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine?
1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine has a molecular weight of 367.21 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 103193692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).