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

C19H18F6N2 — CID 18761081

IUPAC1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C19H18F6N2/c20-18(21,22)15-4-1-3-14(11-15)13-26-7-9-27(10-8-26)17-6-2-5-16(12-17)19(23,24)25/h1-6,11-12H,7-10,13H2
InChIKeyGQPAEQJNGKMANH-UHFFFAOYSA-N
MW388.36 g/mol
LogP5.05
Rot. Bonds3

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

1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 18761081) has the molecular formula C19H18F6N2 and a molecular weight of 388.36 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID18761081
Molecular FormulaC19H18F6N2
Molecular Weight388.36 g/mol
Exact Mass388.14
IUPAC Name1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C19H18F6N2/c20-18(21,22)15-4-1-3-14(11-15)13-26-7-9-27(10-8-26)17-6-2-5-16(12-17)19(23,24)25/h1-6,11-12H,7-10,13H2
InChIKeyGQPAEQJNGKMANH-UHFFFAOYSA-N
XLogP5.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.36
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-nitrophenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 2838112
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3867916
3-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]aniline
CID 135127202
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
1-[(4-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 22195771
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2244842
1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 791479
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 61075067
1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 1375720
1-[(2-chloro-4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 22199130

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine (CID 18761081) is 1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is GQPAEQJNGKMANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N2/c20-18(21,22)15-4-1-3-14(11-15)13-26-7-9-27(10-8-26)17-6-2-5-16(12-17)19(23,24)25/h1-6,11-12H,7-10,13H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine?
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 388.36 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 18761081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).