(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxylic acid
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Basic information
- Standard SMILES
O=C(O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1- InChIKey
RVLHLMFNCSEIHG-JTQLQIEISA-N- Molecular formula
- C13H14FNO3
- Average molar mass
- 251.25 g/mol
Names & identifiers
- Preferred name
- (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxylic acid
- IUPAC
- (3S)-1-(4-fluorobenzoyl)piperidine-3-carboxylic acid
Names & synonyms
851882-87-6(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxylic acid(S)-1-(4-fluorobenzoyl)piperidine-3-carboxylic acidSCHEMBL192998RVLHLMFNCSEIHG-JTQLQIEISA-NAKOS017349926EN300-69541G24037(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxylicacid1-(4-fluoro-benzoyl)-(S)-piperidine-3-carboxylic acid
Database identifiers
- PubChem CID
- 858671
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Related reactions
6 records
Compound notes
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