Basic information
- CAS
13326-36-8- Standard SMILES
CC(C)C(C#N)(CCCN1CCCCC1)c1cccc2ccccc12- InChIKey
PSHNFVQADQZHDI-UHFFFAOYSA-N- Molecular formula
- C23H30N2
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.24089897
Names & identifiers
- Preferred name
- 2-(Naphthalen-1-yl)-5-(piperidin-1-yl)-2-(propan-2-yl)pentanenitrile
- IUPAC
- 2-naphthalen-1-yl-5-piperidin-1-yl-2-propan-2-ylpentanenitrile
- English name
- α-Isopropyl-α-(1-naphtyl)-1-piperidinevaleronitrile
- Molecular formula
- C23H30N2
- Molecular weight
- 334.51
Names & synonyms
13326-36-8DTXSID109280242-(naphthalen-1-yl)-5-(piperidin-1-yl)-2-(propan-2-yl)pentanenitrileRefChem:1061944DTXCID301356801BRN 15946982-naphthalen-1-yl-5-piperidin-1-yl-2-propan-2-ylpentanenitrile1-Piperidinevaleronitrile, alpha-isopropyl-alpha-1-naphthyl-alpha-Isopropyl-alpha-(3-piperidinopropyl)-1-naphthaleneacetonitrile1-NAPHTHALENEACETONITRILE, alpha-ISOPROPYL-alpha-(3-PIPERIDINOPROPYL)-alpha-Isopropyl-alpha-(1-naphtyl)-1-piperidinevaleronitrileα-Isopropyl-α-(1-naphtyl)-1-piperidinevaleronitrile
Show more names
2-isopropyl-2-naphthalen-1-yl-5-piperidin-1-yl-pentanenitrile1-Piperidinepentanenitrile, α-(1-methylethyl)-α-1-naphthalenyl-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Boiling point
- 507 · 507.0±43.0 °C(Predicted)
- Density
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- pka
- 9.41 · 9.41±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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