2,2-Diphenyl-4-(1-piperidinyl)pentanenitrile
Basic information
- CAS
5424-11-3- Standard SMILES
CC(CC(C#N)(c1ccccc1)c1ccccc1)N1CCCCC1- InChIKey
ILJNEWQDWFOAGR-UHFFFAOYSA-N- Molecular formula
- C22H26N2
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.20959884
Names & identifiers
- Preferred name
- 2,2-Diphenyl-4-(1-piperidinyl)pentanenitrile
- IUPAC
- 2,2-diphenyl-4-piperidin-1-ylpentanenitrile
- English name
- 2,2-Diphenyl-4-piperidinovaleronitrile
- Molecular formula
- C22H26N2
- Molecular weight
- 318.46
Names & synonyms
5424-11-32,2-diphenyl-4-(1-piperidinyl)pentanenitrileNSC131762,2-diphenyl-4-piperidin-1-ylpentanenitrileMLS002638302gamma-?Methyl-?alpha,alpha-?diphenyl-1-?piperidinebutanenitr?ileNSC-13176NCIStruc1_001136NCIStruc2_000799CHEMBL1900161gamma-Methyl-alpha,alpha-diphenylpiperidine-1-butyronitrileHMS3086B19
Show more names
2,2-Diphenyl-4-piperidinovaleronitrileγ-Methyl-α,α-diphenyl-1-piperidinebutanenitrile1-Piperidinebutanenitrile,g-methyl-a,a-diphenyl-1-Piperidinebutanenitrile, γ-methyl-α,α-diphenyl-γ-?Methyl-?α,?α-?diphenyl-1-?piperidinebutanenitr?ile
EINECS 226-560-8NSC 13176NCI60_000702PD014101SMR001547790NS00044833piperidine, 1-(3-cyano-1-methyl-3,3-diphenyl)propyl-
Database identifiers
- CAS
5424-11-3- PubChem CID
- 95000
- ChEMBL
CHEMBL1900161- EC Number
- 226-560-8
- Nikkaji
- J218.006E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Melting point
- 83.5 °C · 83.5 °C
- Boiling point
- 475.4 · 475.4±45.0 °C(Predicted)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- solubility
- soluble in Dichloromethane
- pka
- 9.13 · 9.13±0.10(Predicted)
- form
- Solid
- color
- Pale Yellow
Chemistry & industry
Applications
Uses2,2-DIPHENYL-4-PIPERIDINOVALERONITRILE is an intermediate in synthesizing Dipipanone Hydrochloride (D491915), a controlled substance (opiate). Analgesic (narcotic).
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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