1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine

C17H16BrF3N2 — CID 169336754

IUPAC1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C17H16BrF3N2/c18-14-4-6-15(7-5-14)22-8-10-23(11-9-22)16-3-1-2-13(12-16)17(19,20)21/h1-7,12H,8-11H2
InChIKeyXVNITLURGNEPAQ-UHFFFAOYSA-N
MW385.23 g/mol
LogP4.79
Rot. Bonds2

About 1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine

1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 169336754) has the molecular formula C17H16BrF3N2 and a molecular weight of 385.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID169336754
Molecular FormulaC17H16BrF3N2
Molecular Weight385.23 g/mol
Exact Mass384.04
IUPAC Name1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C17H16BrF3N2/c18-14-4-6-15(7-5-14)22-8-10-23(11-9-22)16-3-1-2-13(12-16)17(19,20)21/h1-7,12H,8-11H2
InChIKeyXVNITLURGNEPAQ-UHFFFAOYSA-N
XLogP4.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 6983028
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-(4-bromophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one
CID 4227514
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199175
1-(4-isocyanatophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169354149
4-bromo-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazin-3-one
CID 133302857
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
2-chloro-N'-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]ethanimidamide
CID 169367697

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine (CID 169336754) is 1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(c3ccc(Br)cc3)CC2)c1.
What is the InChIKey of 1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is XVNITLURGNEPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF3N2/c18-14-4-6-15(7-5-14)22-8-10-23(11-9-22)16-3-1-2-13(12-16)17(19,20)21/h1-7,12H,8-11H2.
What are the key properties of 1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 385.23 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 169336754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).