Basic information
- CAS
67031-94-1- Standard SMILES
CC1CCC[NH+](CCCOC(=O)c2ccccc2)C1.[Cl-]- InChIKey
VKZJGAUDBFPNPB-UHFFFAOYSA-N- Molecular formula
- C16H24ClNO2
- Average molar mass
- 297.82 g/mol
- Monoisotopic mass
- 297.1495567
Names & identifiers
- Preferred name
- 3-(3-Methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(3-methylpiperidin-1-ium-1-yl)propyl benzoate chloride
Names & synonyms
67031-94-1DTXSID409859433-(3-Methylpiperidin-1-yl)propyl benzoate--hydrogen chloride (1/1)RefChem:1066737DTXCID101413132gamma-(3-Methylpiperidino)propyl benzoate hydrochlorideBENZOIC ACID, 3-(3-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67031-94-1- PubChem CID
- 48962
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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