Basic information
- CAS
1228-02-0- Standard SMILES
CCC(C)C(C#N)(CCN1CCCCC1)c1ccccc1- InChIKey
JHWFWJSHRYEDOF-UHFFFAOYSA-N- Molecular formula
- C19H28N2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.2252489
Names & identifiers
- Preferred name
- 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile
- IUPAC
- 3-methyl-2-phenyl-2-(2-piperidin-1-ylethyl)pentanenitrile
- English name
- 2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile
- Molecular formula
- C19H28N2
- Molecular weight
- 284.44
Names & synonyms
2-Phenyl-2-(2-piperidinoethyl)-3-methylvaleronitrile1228-02-03-methyl-2-phenyl-2-(2-piperidin-1-ylethyl)pentanenitrileBRN 1253289Valeronitrile, 2-phenyl-2-(2-piperidinoethyl)-3-methyl-Valeronitrile, 3-methyl-2-phenyl-2-(2-piperidinoethyl)-1-Piperidinebutanenitrile, alpha-(1-methylpropyl)-alpha-phenyl-DTXSID009242773-METHYL-2-PHENYL-2-[2-(PIPERIDIN-1-YL)ETHYL]PENTANENITRILE1-Piperidinebutanenitrile, α-(1-methylpropyl)-α-phenyl-
Database identifiers
- CAS
1228-02-0- PubChem CID
- 103752
- DTXSID
DTXSID00924277- Nikkaji
- J96.717C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…