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

C22H24F3NO2 — CID 46028935

IUPAC3-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H24F3NO2/c23-22(24,25)19-9-4-8-18(14-19)16-28-20-10-5-13-26(15-20)21(27)12-11-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,15-16H2
InChIKeyXNUXOGOSKJTZSK-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.85
Rot. Bonds6

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

3-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one (PubChem CID 46028935) has the molecular formula C22H24F3NO2 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one
PubChem CID46028935
Molecular FormulaC22H24F3NO2
Molecular Weight391.43 g/mol
Exact Mass391.18
IUPAC Name3-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H24F3NO2/c23-22(24,25)19-9-4-8-18(14-19)16-28-20-10-5-13-26(15-20)21(27)12-11-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,15-16H2
InChIKeyXNUXOGOSKJTZSK-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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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one (CID 46028935) is 3-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCCC(OCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one?
The InChIKey is XNUXOGOSKJTZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO2/c23-22(24,25)19-9-4-8-18(14-19)16-28-20-10-5-13-26(15-20)21(27)12-11-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,15-16H2.
What are the key properties of 3-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one?
3-phenyl-1-[3-[[3-(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-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 46028935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).