Basic information
- CAS
827322-91-8- Standard SMILES
N#Cc1ccc(N2CCC(Cc3ccccc3)CC2)nc1- InChIKey
FHQCKTUKZNEEJT-UHFFFAOYSA-N- Molecular formula
- C18H19N3
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.15789762
Names & identifiers
- Preferred name
- 6-(4-Benzylpiperidin-1-yl)pyridine-3-carbonitrile
- IUPAC
- 6-(4-benzylpiperidin-1-yl)pyridine-3-carbonitrile
Names & synonyms
827322-91-86-(4-benzylpiperidin-1-yl)pyridine-3-carbonitrileSCHEMBL6235764DTXSID80462400AKOS009105285T6450211Z219101842
Database identifiers
- CAS
827322-91-8- PubChem CID
- 11323398
- DTXSID
DTXSID80462400
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 39.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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