1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]prop-2-en-1-one
Completing data — refresh the page later to see the latest
Basic information
- CAS
762287-47-8- Standard SMILES
C=CC(=O)N1[C@H](C)CCC[C@@H]1C- InChIKey
XKIQZAHRKJDVIS-DTORHVGOSA-N- Molecular formula
- C10H17NO
- Average molar mass
- 167.25 g/mol
- Monoisotopic mass
- 167.13101417
Names & identifiers
- Preferred name
- 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]prop-2-en-1-one
- IUPAC
- 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]prop-2-en-1-one
- English name
- Piperidine, 2,6-dimethyl-1-(1-oxo-2-propenyl)-, (2R,6S)-rel- (9CI)
- Molecular formula
- C10H17NO
- Molecular weight
- 167.25
Names & synonyms
2-Propen-1-one, 1-[(2R,6S)-2,6-dimethyl-1-piperidinyl]-, rel-Piperidine, 2,6-dimethyl-1-(1-oxo-2-propenyl)-, (2R,6S)-rel- (9CI)
Database identifiers
- CAS
762287-47-8- PubChem CID
- 104967097
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 283.4 · 283.4±7.0 °C(Predicted)
- Density
- 0.927 · 0.927±0.06 g/cm3(Predicted)
- pka
- 0 · -0+-.0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…