(2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C20H21F2NO — CID 95729354

IUPAC(2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1Cc2ccccc2C12CCN(Cc1cc(F)cc(F)c1)CC2
InChIInChI=1S/C20H21F2NO/c21-16-9-14(10-17(22)12-16)13-23-7-5-20(6-8-23)18-4-2-1-3-15(18)11-19(20)24/h1-4,9-10,12,19,24H,5-8,11,13H2/t19-/m0/s1
InChIKeyXCHZREUKUSKMDV-IBGZPJMESA-N
MW329.39 g/mol
LogP3.42
Rot. Bonds2

About (2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 95729354) has the molecular formula C20H21F2NO and a molecular weight of 329.39 g/mol. Its IUPAC name is (2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID95729354
Molecular FormulaC20H21F2NO
Molecular Weight329.39 g/mol
Exact Mass329.16
IUPAC Name(2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1Cc2ccccc2C12CCN(Cc1cc(F)cc(F)c1)CC2
InChIInChI=1S/C20H21F2NO/c21-16-9-14(10-17(22)12-16)13-23-7-5-20(6-8-23)18-4-2-1-3-15(18)11-19(20)24/h1-4,9-10,12,19,24H,5-8,11,13H2/t19-/m0/s1
InChIKeyXCHZREUKUSKMDV-IBGZPJMESA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 95729354) is (2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is O[C@H]1Cc2ccccc2C12CCN(Cc1cc(F)cc(F)c1)CC2.
What is the InChIKey of (2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is XCHZREUKUSKMDV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21F2NO/c21-16-9-14(10-17(22)12-16)13-23-7-5-20(6-8-23)18-4-2-1-3-15(18)11-19(20)24/h1-4,9-10,12,19,24H,5-8,11,13H2/t19-/m0/s1.
What are the key properties of (2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 329.39 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-[(3,5-difluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 95729354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).