Basic information
- CAS
67031-70-3- Standard SMILES
O=C(OCCC[NH+]1CCCCC1)c1ccccc1.[Cl-]- InChIKey
CWTLCHPMMZYHJK-UHFFFAOYSA-N- Molecular formula
- C15H22ClNO2
- Average molar mass
- 283.79 g/mol
- Monoisotopic mass
- 283.1339066
Names & identifiers
- Preferred name
- Benzoic acid, 3-(piperidino)propyl ester, hydrochloride
- IUPAC
- 3-piperidin-1-ium-1-ylpropyl benzoate chloride
Names & synonyms
67031-70-3BENZOIC ACID, 3-(PIPERIDINO)PROPYL ESTER, HYDROCHLORIDERefChem:1079066gamma-Piperidinopropyl benzoate hydrochloride3-piperidin-1-ium-1-ylpropyl benzoate;chlorideNSC 28303
Database identifiers
- CAS
67031-70-3- PubChem CID
- 48929
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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