1,1-Dimethylethyl 3-(1-cyano-2-ethoxy-2-oxoethylidene)-1-piperidinecarboxylate
Basic information
- CAS
1159982-26-9- Standard SMILES
CCOC(=O)C(C#N)=C1CCCN(C(=O)OC(C)(C)C)C1- InChIKey
HDGFQSUHMIJEHB-UHFFFAOYSA-N- Molecular formula
- C15H22N2O4
- Average molar mass
- 294.35 g/mol
- Monoisotopic mass
- 294.15795719
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 3-(1-cyano-2-ethoxy-2-oxoethylidene)-1-piperidinecarboxylate
- IUPAC
- tert-butyl 3-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
- English name
- N-Boc-3-(1-cyano-2-ethoxy-2-oxoethylidene)-1-piperidine
- Molecular formula
- C15H22N2O4
- Molecular weight
- 294.35
Names & synonyms
N-Boc-3-(1-cyano-2-ethoxy-2-oxoethylidene)-1-piperidine1,1-Dimethylethyl 3-(1-cyano-2-ethoxy-2-oxoethylidene)-1-piperidinecarboxylateDTXSID801138414JWB98226tert-butyl 5-(1-cyano-2-ethoxy-2-oxoethyl)-3,4-dihydropyridine-1(2H)-carboxylate1-Piperidinecarboxylic acid, 3-(1-cyano-2-ethoxy-2-oxoethylidene)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1159982-26-9- PubChem CID
- 75273686
- DTXSID
DTXSID801138414
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Boiling point
- 414.7 · 414.7±40.0 °C(Predicted)
- Density
- 1.147 · 1.147±0.06 g/cm3(Predicted)
- pka
- -1.78 · -1.78±0.20(Predicted)
Chemistry & industry
Applications
UsesN-Boc-3-(1-cyano-2-ethoxy-2-oxoethylidene)-1-piperidine is a useful synthetic intermediate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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