3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one

C22H24F3NO2 — CID 46028658

IUPAC3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(OCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C22H24F3NO2/c23-22(24,25)19-11-8-18(9-12-19)16-28-20-7-4-14-26(15-20)21(27)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,20H,4,7,10,13-16H2
InChIKeyNSVBOGGPRIALLD-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.85
Rot. Bonds6

About 3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one

3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one (PubChem CID 46028658) has the molecular formula C22H24F3NO2 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one
PubChem CID46028658
Molecular FormulaC22H24F3NO2
Molecular Weight391.43 g/mol
Exact Mass391.18
IUPAC Name3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(OCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C22H24F3NO2/c23-22(24,25)19-11-8-18(9-12-19)16-28-20-7-4-14-26(15-20)21(27)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,20H,4,7,10,13-16H2
InChIKeyNSVBOGGPRIALLD-UHFFFAOYSA-N
XLogP4.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Butyl-2-phenylmorpholin-3-one
CID 3056627
4-Methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one
CID 10634995
(3,4-Difluorophenyl)(2-phenylmorpholino)methanone
CID 16894709
2-(4-fluorophenyl)-N-(2-oxo-2-(2-phenylmorpholino)ethyl)acetamide
CID 16894772
1-(4-((Benzyloxy)methyl)piperidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 49677786
2-(3-Fluorophenyl)-1-[4-[2-[(3-fluorophenyl)methoxy]ethyl]piperidin-1-yl]ethanone
CID 53150623
1-(4-{2-[(3-Fluorobenzyl)oxy]ethyl}piperidino)-2-(2-fluorophenyl)-1-ethanone
CID 53150635
2-(4-Fluorophenyl)-1-(4-{2-[(3-fluorophenyl)methoxy]ethyl}piperidin-1-YL)ethan-1-one
CID 53150639
2-(4-Fluorophenyl)-1-(2-(4-(trifluoromethyl)phenyl)morpholino)ethanone
CID 56763872
1-[2-(4-Fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile
CID 56819708
(4-{2-Oxo-2-[2-(trifluoromethyl)-4-morpholinyl]ethyl}phenyl)methanol
CID 56899658
Methyl 4-{[2-(3-fluorobenzyl)-4-morpholinyl]carbonyl}benzoate
CID 45207715

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one (CID 46028658) is 3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCCC(OCc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one?
The InChIKey is NSVBOGGPRIALLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO2/c23-22(24,25)19-11-8-18(9-12-19)16-28-20-7-4-14-26(15-20)21(27)13-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,20H,4,7,10,13-16H2.
What are the key properties of 3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one?
3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one has a molecular weight of 391.43 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 46028658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).