1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine

C14H18BrF3N2 — CID 138985674

IUPAC1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18BrF3N2/c1-2-19-3-5-20(6-4-19)10-11-7-12(14(16,17)18)9-13(15)8-11/h7-9H,2-6,10H2,1H3
InChIKeyGNXCZLSWRFAHQG-UHFFFAOYSA-N
MW351.21 g/mol
LogP3.61
Rot. Bonds3

About 1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine

1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine (PubChem CID 138985674) has the molecular formula C14H18BrF3N2 and a molecular weight of 351.21 g/mol. Its IUPAC name is 1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine
PubChem CID138985674
Molecular FormulaC14H18BrF3N2
Molecular Weight351.21 g/mol
Exact Mass350.06
IUPAC Name1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18BrF3N2/c1-2-19-3-5-20(6-4-19)10-11-7-12(14(16,17)18)9-13(15)8-11/h7-9H,2-6,10H2,1H3
InChIKeyGNXCZLSWRFAHQG-UHFFFAOYSA-N
XLogP3.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 118088070
3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline
CID 58659410
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)piperidine
CID 172647999
(3R)-1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-3-methoxypyrrolidine
CID 172647841
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909105
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 87929151
tert-butyl N-[1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate
CID 158272872
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125314
N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline
CID 123362955
1-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]hexan-1-one
CID 90903203
4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869742
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059830

Frequently Asked Questions

What is the IUPAC name of 1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine?
The IUPAC name of 1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine (CID 138985674) is 1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine is CCN1CCN(Cc2cc(Br)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine?
The InChIKey is GNXCZLSWRFAHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2/c1-2-19-3-5-20(6-4-19)10-11-7-12(14(16,17)18)9-13(15)8-11/h7-9H,2-6,10H2,1H3.
What are the key properties of 1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine?
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine has a molecular weight of 351.21 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-ethylpiperazine is sourced from PubChem (CID 138985674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).