Basic information
- Standard SMILES
N#CC1(N2CCN(c3ccncc3)CC2)CCN(Cc2ccccc2)CC1- InChIKey
IMGIXQLSXFFCAX-UHFFFAOYSA-N- Molecular formula
- C22H27N5
- Average molar mass
- 361.5 g/mol
Names & identifiers
- Preferred name
- 1-Benzyl-4-(4-(pyridin-4-yl)piperazin-1-yl)piperidine-4-carbonitrile
- IUPAC
- 1-benzyl-4-(4-pyridin-4-ylpiperazin-1-yl)piperidine-4-carbonitrile
Names & synonyms
SCHEMBL3403975IMGIXQLSXFFCAX-UHFFFAOYSA-N1-Benzyl-4-(4-(pyridin-4-yl)piperazin-1-yl)piperidine-4-carbonitrile
Database identifiers
- PubChem CID
- 68629503
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 498
Related reactions
3 records
Compound notes
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