Basic information
- CAS
555-28-2- Standard SMILES
CC1CC(OC(=O)c2ccccc2)CC(C)(C)N1.Cl- InChIKey
VGVCYHBQSIQXMO-UHFFFAOYSA-N- Molecular formula
- C15H22ClNO2
- Average molar mass
- 283.79 g/mol
- Monoisotopic mass
- 283.1339066
Names & identifiers
- Preferred name
- (2,2,6-Trimethylpiperidin-4-yl) benzoate;hydrochloride
- IUPAC
- (2,2,6-trimethylpiperidin-4-yl) benzoate;hydrochloride
Names & synonyms
(2,2,6-trimethylpiperidin-4-yl) benzoate;hydrochlorideDTXSID30970843VGVCYHBQSIQXMO-UHFFFAOYSA-NNS00043580SBI-0654019.0001(2,2,6-trimethyl-4-piperidyl) benzoate;hydrochloride4-BENZOYLOXY-2,2,6-TRIMETHYL-PIPERIDINIUM; CHLORIDE2,2,6-Trimethylpiperidin-4-yl benzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
555-28-2- PubChem CID
- 102435
- DTXSID
DTXSID30970843
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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