4-Piperidinone, 2,3,6-triphenyl-, oxime
Basic information
- CAS
124069-15-4- Standard SMILES
O/N=C1\CC(c2ccccc2)NC(c2ccccc2)C1c1ccccc1- InChIKey
QWMMGJJMBIYAMK-UHFFFAOYSA-N- Molecular formula
- C23H22N2O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.17321333
Names & identifiers
- Preferred name
- 4-Piperidinone, 2,3,6-triphenyl-, oxime
- IUPAC
- (NE)-N-(2,3,6-triphenylpiperidin-4-ylidene)hydroxylamine
- English name
- 2,3,6-Triphenyl4-piperidinamine oxime
- Molecular formula
- C23H22N2O
- Molecular weight
- 342.43
Names & synonyms
124069-15-44-Piperidinone, 2,3,6-triphenyl-, oximeRefChem:10714722,3,6-Triphenyl-4-piperidinone oximeBRN 36264122,3,6-Triphenyl4-piperidinamine oxime(NE)-N-(2,3,6-triphenylpiperidin-4-ylidene)hydroxylamineSTK367584AKOS005443805(E)-2,3,6-triphenylpiperidin-4-one oximeAG-690/12867835(4E)-N-hydroxy-2,3,6-triphenylpiperidin-4-imine
Database identifiers
- CAS
124069-15-4- PubChem CID
- 5935486
- Nikkaji
- J400.728J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Melting point
- 195 · 195-196 °C
- Boiling point
- 530.9 · 530.9±50.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 11.76 · 11.76±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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