1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone

C22H22F3NO3 — CID 44611734

IUPAC1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
SMILESO=C(COc1ccccc1C(F)(F)F)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C22H22F3NO3/c23-22(24,25)17-7-3-4-8-18(17)29-14-20(28)26-11-9-21(10-12-26)16-6-2-1-5-15(16)13-19(21)27/h1-8,19,27H,9-14H2
InChIKeyLYIDBENHWBUZCD-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.56
Rot. Bonds3

About 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone

1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone (PubChem CID 44611734) has the molecular formula C22H22F3NO3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
PubChem CID44611734
Molecular FormulaC22H22F3NO3
Molecular Weight405.42 g/mol
Exact Mass405.16
IUPAC Name1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
SMILESO=C(COc1ccccc1C(F)(F)F)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C22H22F3NO3/c23-22(24,25)17-7-3-4-8-18(17)29-14-20(28)26-11-9-21(10-12-26)16-6-2-1-5-15(16)13-19(21)27/h1-8,19,27H,9-14H2
InChIKeyLYIDBENHWBUZCD-UHFFFAOYSA-N
XLogP3.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 59492596
CID 59492596
CID 59492720
CID 59492720
CID 59492756
CID 59492756
CID 59492759
CID 59492759
CID 59492942
CID 59492942
CID 59492959
CID 59492959
CID 59493104
CID 59493104
CID 59493149
CID 59493149
CID 59493177
CID 59493177
CID 59492493
CID 59492493
CID 59492554
CID 59492554
CID 59492557
CID 59492557

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone?
The IUPAC name of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone (CID 44611734) is 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone?
The canonical SMILES for 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone is O=C(COc1ccccc1C(F)(F)F)N1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone?
The InChIKey is LYIDBENHWBUZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO3/c23-22(24,25)17-7-3-4-8-18(17)29-14-20(28)26-11-9-21(10-12-26)16-6-2-1-5-15(16)13-19(21)27/h1-8,19,27H,9-14H2.
What are the key properties of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone?
1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone has a molecular weight of 405.42 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone is sourced from PubChem (CID 44611734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).