2-(4-Oxopiperidin-1-YL)-2-phenylacetonitrile
Basic information
- CAS
1018337-05-7- Standard SMILES
N#CC(c1ccccc1)N1CCC(=O)CC1- InChIKey
YMMYYSSKVHBKGL-UHFFFAOYSA-N- Molecular formula
- C13H14N2O
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.11061307
Names & identifiers
- Preferred name
- 2-(4-Oxopiperidin-1-YL)-2-phenylacetonitrile
- IUPAC
- 2-(4-oxopiperidin-1-yl)-2-phenylacetonitrile
- English name
- 2-(4-Oxopiperidin-1-yl)-2-phenylacetonitrile
- Molecular formula
- C13H14N2O
- Molecular weight
- 214.26
Names & synonyms
2-(4-OXOPIPERIDIN-1-YL)-2-PHENYLACETONITRILE1018337-05-7DTXSID30697442(4-Oxopiperidin-1-yl)(phenyl)acetonitrileDB-2918841-Piperidineacetonitrile, 4-oxo-α-phenyl-
Database identifiers
- CAS
1018337-05-7- PubChem CID
- 53418756
- DTXSID
DTXSID30697442
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Boiling point
- 357 · 357.0±37.0 °C(Predicted)
- Density
- 1.171 · 1.171±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.55 · 2.55±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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