[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone

C21H23FN2O2 — CID 56904306

IUPAC[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cc1F
InChIInChI=1S/C21H23FN2O2/c1-13-6-7-14(12-17(13)22)20(26)24-10-8-21(9-11-24)16-5-3-2-4-15(16)18(23)19(21)25/h2-7,12,18-19,25H,8-11,23H2,1H3/t18-,19+/m1/s1
InChIKeyBZHHOYLAZYIQLH-MOPGFXCFSA-N
MW354.43 g/mol
LogP2.68
Rot. Bonds1

About [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone

[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone (PubChem CID 56904306) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone
PubChem CID56904306
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cc1F
InChIInChI=1S/C21H23FN2O2/c1-13-6-7-14(12-17(13)22)20(26)24-10-8-21(9-11-24)16-5-3-2-4-15(16)18(23)19(21)25/h2-7,12,18-19,25H,8-11,23H2,1H3/t18-,19+/m1/s1
InChIKeyBZHHOYLAZYIQLH-MOPGFXCFSA-N
XLogP2.68
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone (CID 56904306) is [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cc1F.
What is the InChIKey of [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is BZHHOYLAZYIQLH-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-13-6-7-14(12-17(13)22)20(26)24-10-8-21(9-11-24)16-5-3-2-4-15(16)18(23)19(21)25/h2-7,12,18-19,25H,8-11,23H2,1H3/t18-,19+/m1/s1.
What are the key properties of [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone?
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 354.43 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 56904306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).