2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone

C21H22F3NO2 — CID 46028951

IUPAC2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCCC(OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H22F3NO2/c22-21(23,24)18-9-4-8-17(12-18)15-27-19-10-5-11-25(14-19)20(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19H,5,10-11,13-15H2
InChIKeyWHRXGNVMGPPXNW-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.46
Rot. Bonds5

About 2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone

2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone (PubChem CID 46028951) has the molecular formula C21H22F3NO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
PubChem CID46028951
Molecular FormulaC21H22F3NO2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCCC(OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H22F3NO2/c22-21(23,24)18-9-4-8-17(12-18)15-27-19-10-5-11-25(14-19)20(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19H,5,10-11,13-15H2
InChIKeyWHRXGNVMGPPXNW-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Fenbutrazate
CID 20395
1-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-one
CID 20443023
1-[4-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-4-phenyl-piperidin-1-yl]-3-dimethylamino-propan-1-one
CID 11800025
(4R,5S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-1-methylazepan-2-one
CID 44412159
(5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-1-methylazepan-2-one
CID 44412226
(3R,5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-1,3-dimethylazepan-2-one
CID 44412373
(5S,6S,7S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-1,7-dimethylazepan-2-one
CID 44412374
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-phenylpyrrolidin-1-yl)ethanone
CID 44444631
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)ethanone
CID 44444634
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)propan-1-one
CID 44444637
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)-2-methylpropan-1-one
CID 44444638
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-phenylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 44444640

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone (CID 46028951) is 2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCCC(OCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone?
The InChIKey is WHRXGNVMGPPXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO2/c22-21(23,24)18-9-4-8-17(12-18)15-27-19-10-5-11-25(14-19)20(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19H,5,10-11,13-15H2.
What are the key properties of 2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone?
2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone has a molecular weight of 377.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 46028951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).