Basic information
- CAS
67031-91-8- Standard SMILES
CC1CCC[NH+](CCOC(=O)c2ccccc2)C1.[Cl-]- InChIKey
OJCKSNDNXDAWDB-UHFFFAOYSA-N- Molecular formula
- C15H22ClNO2
- Average molar mass
- 283.79 g/mol
- Monoisotopic mass
- 283.1339066
Names & identifiers
- Preferred name
- 2-(3-Methylpiperidin-1-yl)ethyl benzoate--hydrogen chloride (1/1)
- IUPAC
- 2-(3-methylpiperidin-1-ium-1-yl)ethyl benzoate chloride
Names & synonyms
67031-91-8DTXSID609859402-(3-Methylpiperidin-1-yl)ethyl benzoate--hydrogen chloride (1/1)RefChem:1061106DTXCID401413129beta-(3-Methylpiperidino)ethyl benzoate hydrochlorideBENZOIC ACID, 2-(3-METHYLPIPERIDINO)ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67031-91-8- PubChem CID
- 48958
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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