3-Hexanone, 4,4-diphenyl-6-piperidino-, nitrate
Basic information
- CAS
67227-16-1- Standard SMILES
CCC(=O)C(CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1.O=[N+]([O-])[O-]- InChIKey
ZLIHZFGYUSONTH-UHFFFAOYSA-O- Molecular formula
- C23H30N2O4
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.22055744
Names & identifiers
- Preferred name
- 3-Hexanone, 4,4-diphenyl-6-piperidino-, nitrate
- IUPAC
- 4,4-diphenyl-6-piperidin-1-ium-1-ylhexan-3-one nitrate
Names & synonyms
3-HEXANONE, 4,4-DIPHENYL-6-PIPERIDINO-, NITRATE4,4-Diphenyl-6-piperidino-3-hexanone nitrate67227-16-1DTXSID90217549RefChem:279656DTXCID901400401-(4-Oxo-3,3-diphenylhexyl)piperidin-1-ium nitrate
Database identifiers
- CAS
67227-16-1- PubChem CID
- 49625
- DTXSID
DTXSID90217549
Properties
Computed structural properties
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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