5-(trans-2-(4-Fluorophenethyl)piperidin-4-yl)isoxazol-3(2h)-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=c1cc([C@@H]2CCN[C@@H](CCc3ccc(F)cc3)C2)o[nH]1- InChIKey
PTDBJZLKLNPFOW-OCCSQVGLSA-N- Molecular formula
- C16H19FN2O2
- Average molar mass
- 290.33 g/mol
Names & identifiers
- Preferred name
- 5-(trans-2-(4-Fluorophenethyl)piperidin-4-yl)isoxazol-3(2h)-one
- IUPAC
- 5-[(2S,4R)-2-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-1,2-oxazol-3-one
Names & synonyms
SCHEMBL581384PTDBJZLKLNPFOW-OCCSQVGLSA-N5-(trans-2-(4-fluorophenethyl)piperidin-4-yl)isoxazol-3(2h)-one
Database identifiers
- PubChem CID
- 66732016
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…