Basic information
- CAS
69782-42-9- Standard SMILES
CC1CCCC[NH+]1CCCOC(=O)c1cccnc1.[Cl-]- InChIKey
FJKDWSGEIKODMU-UHFFFAOYSA-N- Molecular formula
- C15H23ClN2O2
- Average molar mass
- 298.81 g/mol
- Monoisotopic mass
- 298.1448057
Names & identifiers
- Preferred name
- Nicotinic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl pyridine-3-carboxylate chloride
Names & synonyms
NICOTINIC ACID, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE69782-42-9RefChem:10923993-Pyridinecarboxylic acid, 3-(2-methylpiperidino)propyl ester, hydrochloride
Database identifiers
- CAS
69782-42-9- PubChem CID
- 50880
Properties
Computed structural properties
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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