4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

C24H24F3NO2 — CID 24785190

IUPAC4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccco2)c1
InChIInChI=1S/C24H24F3NO2/c25-24(26,27)21-14-18(13-19(15-21)22-7-4-12-30-22)16-29-17-23(8-10-28-11-9-23)20-5-2-1-3-6-20/h1-7,12-15,28H,8-11,16-17H2
InChIKeySTYGRMVBZWGQRW-UHFFFAOYSA-N
MW415.46 g/mol
LogP5.80
Rot. Bonds6

About 4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (PubChem CID 24785190) has the molecular formula C24H24F3NO2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
PubChem CID24785190
Molecular FormulaC24H24F3NO2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccco2)c1
InChIInChI=1S/C24H24F3NO2/c25-24(26,27)21-14-18(13-19(15-21)22-7-4-12-30-22)16-29-17-23(8-10-28-11-9-23)20-5-2-1-3-6-20/h1-7,12-15,28H,8-11,16-17H2
InChIKeySTYGRMVBZWGQRW-UHFFFAOYSA-N
XLogP5.80
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (CID 24785190) is 4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccco2)c1.
What is the InChIKey of 4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The InChIKey is STYGRMVBZWGQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO2/c25-24(26,27)21-14-18(13-19(15-21)22-7-4-12-30-22)16-29-17-23(8-10-28-11-9-23)20-5-2-1-3-6-20/h1-7,12-15,28H,8-11,16-17H2.
What are the key properties of 4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine has a molecular weight of 415.46 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(furan-2-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 24785190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).