Basic information
- CAS
42060-84-4- Standard SMILES
Cc1ccc(C(=O)C2CCNCC2)cc1.[Cl-].[H+]- InChIKey
IQGHJDJWYVPSGM-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO
- Average molar mass
- 239.74 g/mol
- Monoisotopic mass
- 239.1076919
Overview
See also: 4-(4-Methylbenzoyl)piperidine hydrochloride (preferred).
Names & identifiers
- Preferred name
- Hydron;(4-methylphenyl)-piperidin-4-ylmethanone;chloride
- IUPAC
- hydron;(4-methylphenyl)-piperidin-4-ylmethanone;chloride
Names & synonyms
hydron;(4-methylphenyl)-piperidin-4-ylmethanone;chloride
Database identifiers
- CAS
42060-84-4- PubChem CID
- 650780
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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