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

C22H27F3N2 — CID 66985068

IUPAC1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESFC(F)(F)c1ccccc1CCN1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C22H27F3N2/c23-22(24,25)21-11-5-4-10-20(21)12-14-27-17-15-26(16-18-27)13-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-11H,6,9,12-18H2
InChIKeyXOYUSDKPIGGTGO-UHFFFAOYSA-N
MW376.47 g/mol
LogP4.50
Rot. Bonds7

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

1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine (PubChem CID 66985068) has the molecular formula C22H27F3N2 and a molecular weight of 376.47 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine
PubChem CID66985068
Molecular FormulaC22H27F3N2
Molecular Weight376.47 g/mol
Exact Mass376.21
IUPAC Name1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine
SMILESFC(F)(F)c1ccccc1CCN1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C22H27F3N2/c23-22(24,25)21-11-5-4-10-20(21)12-14-27-17-15-26(16-18-27)13-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-11H,6,9,12-18H2
InChIKeyXOYUSDKPIGGTGO-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
CID 170862295
4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
CID 141379171
1-[(3-pyrrol-1-ylphenyl)methyl]-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 59382174
2-bromo-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone
CID 19004319
3-(2-phenylethyl)-8-[4-[2-(trifluoromethyl)phenyl]butyl]-8-azaspiro[4.5]decane
CID 163895416
2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone
CID 59382114
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone
CID 59382207
1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
CID 117379867
4-ethenyl-4-propan-2-yl-1-[3-[2-(trifluoromethyl)phenyl]propyl]piperidine
CID 145108028
[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl] (Z)-3-aminobut-2-enoate
CID 70416791
2-oxo-2-[4-[2-oxo-2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethoxy]phenyl]acetic acid
CID 19004491

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine (CID 66985068) is 1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine is FC(F)(F)c1ccccc1CCN1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine?
The InChIKey is XOYUSDKPIGGTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N2/c23-22(24,25)21-11-5-4-10-20(21)12-14-27-17-15-26(16-18-27)13-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-11H,6,9,12-18H2.
What are the key properties of 1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine?
1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine has a molecular weight of 376.47 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 66985068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).