Basic information
- Standard SMILES
CC(C)(C)C(=O)OC1(c2ccccc2)CCN(CCC2COc3ccccc3O2)CC1.Cl- InChIKey
ADYPIAOFRGRFRS-UHFFFAOYSA-N- Molecular formula
- C26H34ClNO4
- Average molar mass
- 460 g/mol
- Monoisotopic mass
- 459.2176363
Names & identifiers
- Preferred name
- 2-[2-(4-Pivaloyloxy-4-phenylpiperidino)-ethyl]-1,4-benzodioxan hydrochloride
- IUPAC
- [1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-phenylpiperidin-4-yl] 2,2-dimethylpropanoate;hydrochloride
Names & synonyms
SCHEMBL11536674ADYPIAOFRGRFRS-UHFFFAOYSA-N2-[2-(4-pivaloyloxy-4-phenylpiperidino)-ethyl]-1,4-benzodioxan hydrochloride
Database identifiers
- PubChem CID
- 21331970
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 587
Related reactions
2 records
Compound notes
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