Basic information
- Standard SMILES
O=C(O)CC[C@@H]1CNC(=O)C[C@H]1c1ccc(F)cc1- InChIKey
ZCLNVLFDOBHPDS-PWSUYJOCSA-N- Molecular formula
- C14H16FNO3
- Average molar mass
- 265.28 g/mol
Names & identifiers
- Preferred name
- trans-4-(4-Fluorophenyl)-3-carboxyethylpiperidin-6-one
- IUPAC
- 3-[(3S,4R)-4-(4-fluorophenyl)-6-oxopiperidin-3-yl]propanoic acid
Names & synonyms
SCHEMBL6579830ZCLNVLFDOBHPDS-PWSUYJOCSA-Ntrans-4-(4-fluorophenyl)-3-carboxyethylpiperidin-6-one
Database identifiers
- PubChem CID
- 69829520
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Related reactions
2 records
Compound notes
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