Basic information
- CAS
119228-22-7- Standard SMILES
Cl.O=C(Oc1ccccc1)C1CCCNC1- InChIKey
ZJPVBBUVAUDRQX-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO2
- Average molar mass
- 241.71 g/mol
- Monoisotopic mass
- 241.0869564
Names & identifiers
- Preferred name
- Phenyl piperidine-3-carboxylate;hydrochloride
- IUPAC
- phenyl piperidine-3-carboxylate;hydrochloride
Names & synonyms
119228-22-7DTXSID20538254Phenyl piperidine-3-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
119228-22-7- PubChem CID
- 13360552
- DTXSID
DTXSID20538254
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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