2-Phenyl-2-(2-piperidinoethyl)-3-methylbutyronitrile
Basic information
- CAS
2809-50-9- Standard SMILES
CC(C)C(C#N)(CCN1CCCCC1)c1ccccc1- InChIKey
HEKDUNZUGUQWGW-UHFFFAOYSA-N- Molecular formula
- C18H26N2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.20959884
Names & identifiers
- Preferred name
- 2-Phenyl-2-(2-piperidinoethyl)-3-methylbutyronitrile
- IUPAC
- 3-methyl-2-phenyl-2-(2-piperidin-1-ylethyl)butanenitrile
- English name
- 2-Phenyl-2-(2-piperidinoethyl)-3-methylbutyronitrile
- Molecular formula
- C18H26N2
- Molecular weight
- 270.41
Names & synonyms
2809-50-9BRN 13485992-Phenyl-2-(2-piperidinoethyl)-3-methylbutyronitrileBUTYRONITRILE, 2-PHENYL-2-(2-PIPERIDINOETHYL)-3-METHYL-DTXSID909508232-PHENYL-2-(2-PIPERIDIN-1-YLETHYL)-3-METHYLBUTANENITRILE3-METHYL-2-PHENYL-2-[2-(PIPERIDIN-1-YL)ETHYL]BUTANENITRILEα-Isopropyl-α-phenyl-1-piperidinebutyronitrile1-Piperidinebutanenitrile, α-(1-methylethyl)-α-phenyl-
Database identifiers
- CAS
2809-50-9- PubChem CID
- 17764
- DTXSID
DTXSID90950823- Nikkaji
- J42.933C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Boiling point
- 121 · 121-123 °C(Press: 0.1 Torr)
- Density
- 0.99 · 0.990±0.06 g/cm3(Predicted)
- pka
- 8.81 · 8.81±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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