1-(3-Fluorobenzyl)piperidine-3-carboxylic acid
Basic information
- CAS
896046-85-8- Standard SMILES
O=C(O)C1CCCN(Cc2cccc(F)c2)C1- InChIKey
VWUDHUJSDJLKJL-UHFFFAOYSA-N- Molecular formula
- C13H16FNO2
- Average molar mass
- 237.27 g/mol
- Monoisotopic mass
- 237.11650692
Names & identifiers
- Preferred name
- 1-(3-Fluorobenzyl)piperidine-3-carboxylic acid
- IUPAC
- 1-[(3-fluorophenyl)methyl]piperidine-3-carboxylic acid
- English name
- 1-(3-Fluorobenzyl)piperidine-3-carboxylic acid
- Molecular formula
- C13H16FNO2
- Molecular weight
- 237.27
Names & synonyms
896046-85-81-(3-fluorobenzyl)piperidine-3-carboxylic acid1-[(3-fluorophenyl)methyl]piperidine-3-carboxylic Acid1-(3-Fluoro-benzyl)-piperidine-3-carboxylic acidDTXSID40405252SBB074550AKOS000125278AKOS0221798481-(3-fluorobenzyl)piperidine-3-carboxylicacid1-(3-Fluoro-benzyl)-piperidine-3-carboxylic?acidAKOS BBV-004471OTAVA-BB 1147602
Show more names
UKRORGSYN-BB BBV-0044711-[(3-Fluorophenyl)methyl]-3-piperidinecarboxylic acid1-[(3-fluorophenyl)methyl]-3-Piperidine carbocylic acid3-Piperidinecarboxylic acid, 1-[(3-fluorophenyl)methyl]-
Database identifiers
- CAS
896046-85-8- PubChem CID
- 4650484
- DTXSID
DTXSID40405252
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 357 · 357.0±37.0 °C(Predicted)
- Density
- 1.234 · 1.234
- pka
- 3.84 · 3.84±0.20(Predicted)
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Related reactions
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Compound notes
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