Basic information
- CAS
2572-77-2- Standard SMILES
CC(C)C(C#N)(CCN1CCCCC1)c1cccc2ccccc12- InChIKey
JWUCNSPLOIVAGH-UHFFFAOYSA-N- Molecular formula
- C22H28N2
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.2252489
Names & identifiers
- Preferred name
- 1-Naphthaleneacetonitrile, alpha-isopropyl-alpha-(2-piperidinoethyl)-
- IUPAC
- 3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butanenitrile
- English name
- α-Isopropyl-α-(1-naphtyl)-1-piperidinebutyronitrile
- Molecular formula
- C22H28N2
- Molecular weight
- 320.47
Names & synonyms
2572-77-21-NAPHTHALENEACETONITRILE, alpha-ISOPROPYL-alpha-(2-PIPERIDINOETHYL)-RefChem:1055962NSC 171376BRN 1352307NSC171376alpha-Isopropyl-alpha-(2-piperidinoethyl)-1-naphthaleneacetonitrile1-Piperidinebutyronitrile, alpha-isopropyl-alpha-1-naphthyl-DTXSID0013814431-Piperidinebutyronitrile, .alpha.-isopropyl-.alpha.-1-naphthyl-3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butanenitrileNSC-171376
Show more names
α-Isopropyl-α-(1-naphtyl)-1-piperidinebutyronitrile1-Piperidinebutanenitrile, α-(1-methylethyl)-α-1-naphthalenyl-
1-Naphthaleneacetonitrile, .alpha.-isopropyl-.alpha.-(2-piperidinoethyl)-
Database identifiers
- CAS
2572-77-2- PubChem CID
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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