Basic information
- CAS
67031-71-4- Standard SMILES
O=C(OCCC1CCCC[NH2+]1)c1ccccc1.[Cl-]- InChIKey
LXTGNRBHOWNQBZ-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO2
- Average molar mass
- 269.77 g/mol
- Monoisotopic mass
- 269.1182566
Names & identifiers
- Preferred name
- 2-(Piperidin-2-yl)ethyl benzoate--hydrogen chloride (1/1)
- IUPAC
- 2-piperidin-1-ium-2-ylethyl benzoate chloride
Names & synonyms
DTXSID909859332-(Piperidin-2-yl)ethyl benzoate--hydrogen chloride (1/1)RefChem:1062023DTXCID50141312267031-71-42-Piperidineethanol, benzoate (ester), hydrochlorideBENZOIC ACID, 2-(2-PIPERIDYL)ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67031-71-4- PubChem CID
- 48931
Properties
Computed structural properties
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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