Butyronitrile, 2-methyl-2-phenyl-4-piperidino-
Basic information
- CAS
2809-48-5- Standard SMILES
CC(C#N)(CCN1CCCCC1)c1ccccc1- InChIKey
BHQDNXUEOQZESE-UHFFFAOYSA-N- Molecular formula
- C16H22N2
- Average molar mass
- 242.36 g/mol
- Monoisotopic mass
- 242.17829871
Names & identifiers
- Preferred name
- Butyronitrile, 2-methyl-2-phenyl-4-piperidino-
- IUPAC
- 2-methyl-2-phenyl-4-piperidin-1-ylbutanenitrile
- English name
- 2-methyl-2-phenyl-4-(1-piperidyl)butanenitrile
- Molecular formula
- C16H22N2
- Molecular weight
- 242.36
Names & synonyms
2809-48-5BUTYRONITRILE, 2-METHYL-2-PHENYL-4-PIPERIDINO-RefChem:1080504BRN 12495362-Methyl-2-phenyl-4-piperidinobutyronitrile2-methyl-2-phenyl-4-(1-piperidyl)butanenitrile5-20-03-00076 (Beilstein Handbook Reference)SCHEMBL116428042-METHYL-2-PHENYL-4-(PIPERIDIN-1-YL)BUTANENITRILEDTXSID70950821α-Methyl-α-phenyl-1-piperidinebutanenitrile1-Piperidinebutanenitrile, α-methyl-α-phenyl-
Database identifiers
- CAS
2809-48-5- PubChem CID
- 17762
- DTXSID
DTXSID70950821- Nikkaji
- J42.941D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 386.7 · 386.7±35.0 °C(Predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- pka
- 8.84 · 8.84±0.10(Predicted)
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Compound notes
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