1-NAPHTHALENEACETONITRILE, alpha,alpha-BIS(2-PIPERIDINOETHYL)-
Basic information
- CAS
2982-07-2- Standard SMILES
N#CC(CCN1CCCCC1)(CCN1CCCCC1)c1cccc2ccccc12- InChIKey
VOFHOGHLFWBOMB-UHFFFAOYSA-N- Molecular formula
- C26H35N3
- Average molar mass
- 389.6 g/mol
- Monoisotopic mass
- 389.28309813
Names & identifiers
- Preferred name
- 1-NAPHTHALENEACETONITRILE, alpha,alpha-BIS(2-PIPERIDINOETHYL)-
- IUPAC
- 2-naphthalen-1-yl-4-piperidin-1-yl-2-(2-piperidin-1-ylethyl)butanenitrile
Names & synonyms
1-NAPHTHALENEACETONITRILE, alpha,alpha-BIS(2-PIPERIDINOETHYL)-2982-07-2BRN 1356055DTXSID70183955alpha,alpha-Bis(2-piperidinoethyl)-1-naphthaleneacetonitrile2-(naphthalen-1-yl)-4-(piperidin-1-yl)-2-[2-(piperidin-1-yl)ethyl]butanenitrile
Database identifiers
- CAS
2982-07-2- PubChem CID
- 18119
- DTXSID
DTXSID70183955
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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