Want to comment
on this record?

4-{4-[4-Chloro(²H₄)phenyl]-4-hydroxy-1-piperidinyl}-1-(4-fluorophenyl)-1-butanone

ChemSpider ID: 23936238
Molecular Formula: C₂₁H₁₉D₄ClFNO₂
Monoisotopic mass: 379.165253 Da
Systematic name

4-{4-[4-Chloro(²H₄)phenyl]-4-hydroxy-1-piperidinyl}-1-(4-fluorophenyl)-1-butanone
SMILES and InChIs

SMILES:

[2H]c1c(c(c(c(c1C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)[2H])[2H])Cl)[2H] Copied

Std. InChI:

InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2/i5D,6D,7D,8D Copied

Std. InChIKey:

LNEPOXFFQSENCJ-KDWZCNHSSA-N Copied

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library