2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone

C21H23F3N2O2 — CID 59382114

IUPAC2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(CCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C21H23F3N2O2/c22-21(23,24)19-9-5-4-6-17(19)10-11-25-12-14-26(15-13-25)20(27)16-28-18-7-2-1-3-8-18/h1-9H,10-16H2
InChIKeyXOGJLNJWQLQREM-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.47
Rot. Bonds6

About 2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone

2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone (PubChem CID 59382114) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone
PubChem CID59382114
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCN(CCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C21H23F3N2O2/c22-21(23,24)19-9-5-4-6-17(19)10-11-25-12-14-26(15-13-25)20(27)16-28-18-7-2-1-3-8-18/h1-9H,10-16H2
InChIKeyXOGJLNJWQLQREM-UHFFFAOYSA-N
XLogP3.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-2-[4-[2-oxo-2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethoxy]phenyl]acetic acid
CID 19004491
2-bromo-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone
CID 19004319
1-[4-(2-bromoethyl)piperazin-1-yl]-2-phenoxyethanone
CID 80659936
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-phenoxyethanone
CID 110602312
2-(4-chlorophenoxy)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412047
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-phenoxy-1-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]ethanone
CID 108547572
2-phenoxy-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 4812262
1-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 46998642
1-[2-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carbonyl]phenyl]ethanone
CID 59382207
1-[4-(3-methylbutyl)piperazin-1-yl]-2-phenoxyethanone
CID 47043100
2-phenoxy-1-[4-[2-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]ethanone
CID 91838919

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone (CID 59382114) is 2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone is O=C(COc1ccccc1)N1CCN(CCc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone?
The InChIKey is XOGJLNJWQLQREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c22-21(23,24)19-9-5-4-6-17(19)10-11-25-12-14-26(15-13-25)20(27)16-28-18-7-2-1-3-8-18/h1-9H,10-16H2.
What are the key properties of 2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone?
2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone has a molecular weight of 392.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 59382114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).