3-Piperidinylmethyl isonicotinate hydrochloride
Basic information
- CAS
1220037-02-4- Standard SMILES
Cl.O=C(OCC1CCCNC1)c1ccncc1- InChIKey
FBGAMYRLJQBSLT-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2O2
- Average molar mass
- 256.73 g/mol
- Monoisotopic mass
- 256.0978555
Names & identifiers
- Preferred name
- 3-Piperidinylmethyl isonicotinate hydrochloride
- IUPAC
- piperidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride
- English name
- 3-Piperidinylmethyl isonicotinate hydrochloride
- Molecular formula
- C12H17ClN2O2
- Molecular weight
- 256.72858
Names & synonyms
1220037-02-43-PIPERIDINYLMETHYL ISONICOTINATE HYDROCHLORIDEPiperidin-3-ylmethyl isonicotinate hydrochloridepiperidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride4-Pyridinecarboxylic acid, 3-piperidinylmethyl ester, hydrochloride (1:1)AKOS015847063Piperidin-3-ylmethylisonicotinatehydrochloride
Database identifiers
- CAS
1220037-02-4- PubChem CID
- 53409804
Properties
Computed structural properties
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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