1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone

C20H20F3NO2 — CID 14649985

IUPAC1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)(c2ccccc2)CC1
InChIInChI=1S/C20H20F3NO2/c1-15(25)24-12-10-19(11-13-24,16-6-3-2-4-7-16)26-18-9-5-8-17(14-18)20(21,22)23/h2-9,14H,10-13H2,1H3
InChIKeyFOWKKIQCAIGQTH-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.62
Rot. Bonds3

About 1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone

1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone (PubChem CID 14649985) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
PubChem CID14649985
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)(c2ccccc2)CC1
InChIInChI=1S/C20H20F3NO2/c1-15(25)24-12-10-19(11-13-24,16-6-3-2-4-7-16)26-18-9-5-8-17(14-18)20(21,22)23/h2-9,14H,10-13H2,1H3
InChIKeyFOWKKIQCAIGQTH-UHFFFAOYSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
1-[4-(4-nitrophenoxy)-4-phenylpiperidin-1-yl]ethanone
CID 14649986
4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 152780099
2-chloro-1-[4-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 174485792
4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol
CID 123599600
tert-butyl 4-(acetyloxymethyl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 91320906
1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone
CID 110906728
1-bicyclo[1.1.0]butanyl-[3-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 167799782
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258
1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 39915165
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840

Frequently Asked Questions

What is the IUPAC name of 1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone (CID 14649985) is 1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone is CC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)(c2ccccc2)CC1.
What is the InChIKey of 1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
The InChIKey is FOWKKIQCAIGQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-15(25)24-12-10-19(11-13-24,16-6-3-2-4-7-16)26-18-9-5-8-17(14-18)20(21,22)23/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone?
1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone has a molecular weight of 363.38 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 14649985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).