1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C26H24F6N2O — CID 11512090

IUPAC1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H24F6N2O/c27-25(28,29)20-9-11-23(12-10-20)35-24(19-5-2-1-3-6-19)18-33-13-15-34(16-14-33)22-8-4-7-21(17-22)26(30,31)32/h1-12,17,24H,13-16,18H2
InChIKeyZLGROMLSPZUKKZ-UHFFFAOYSA-N
MW494.48 g/mol
LogP6.67
Rot. Bonds6

About 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 11512090) has the molecular formula C26H24F6N2O and a molecular weight of 494.48 g/mol. Its IUPAC name is 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID11512090
Molecular FormulaC26H24F6N2O
Molecular Weight494.48 g/mol
Exact Mass494.18
IUPAC Name1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H24F6N2O/c27-25(28,29)20-9-11-23(12-10-20)35-24(19-5-2-1-3-6-19)18-33-13-15-34(16-14-33)22-8-4-7-21(17-22)26(30,31)32/h1-12,17,24H,13-16,18H2
InChIKeyZLGROMLSPZUKKZ-UHFFFAOYSA-N
XLogP6.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.48
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine
CID 143117253
1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 117068544
1-(2-methoxyphenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine;hydrochloride
CID 11605620
1-(1-phenylpropoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 18807491
1-(2-phenylpropoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 18884587
1-[4-(dimethylamino)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 71774827
1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine
CID 11797416
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
CID 3051828
2,4-bis(3-methylphenyl)-1,5-bis[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-3-one
CID 174639757
N-(1-phenylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199208
1-heptoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 110181730

Frequently Asked Questions

What is the IUPAC name of 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 11512090) is 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is ZLGROMLSPZUKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F6N2O/c27-25(28,29)20-9-11-23(12-10-20)35-24(19-5-2-1-3-6-19)18-33-13-15-34(16-14-33)22-8-4-7-21(17-22)26(30,31)32/h1-12,17,24H,13-16,18H2.
What are the key properties of 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 494.48 g/mol, XLogP of 6.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 11512090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).