1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C20H23F3N2 — CID 791479

IUPAC1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCc1ccc(C)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C20H23F3N2/c1-15-6-7-16(2)17(12-15)14-24-8-10-25(11-9-24)19-5-3-4-18(13-19)20(21,22)23/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyXHFWSTHPRAMYAO-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.64
Rot. Bonds3

About 1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 791479) has the molecular formula C20H23F3N2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID791479
Molecular FormulaC20H23F3N2
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCc1ccc(C)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C20H23F3N2/c1-15-6-7-16(2)17(12-15)14-24-8-10-25(11-9-24)19-5-3-4-18(13-19)20(21,22)23/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyXHFWSTHPRAMYAO-UHFFFAOYSA-N
XLogP4.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
1-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]-4-phenylpiperazine
CID 1277305
1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 22199130
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 61075067
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2244842
1-[2-(3-hexyl-4-methylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 66907897
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3867916
1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 22762653
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
2,4-bis(3-methylphenyl)-1,5-bis[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-3-one
CID 174639757
1-[(2-methyl-5-phenyl-1-pyridin-2-ylpyrrol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 10322750

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 791479) is 1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is Cc1ccc(C)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is XHFWSTHPRAMYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2/c1-15-6-7-16(2)17(12-15)14-24-8-10-25(11-9-24)19-5-3-4-18(13-19)20(21,22)23/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 348.41 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 791479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).