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Basic information
- Standard SMILES
COc1ccc2c(N3CCC(O)CC3)nc(C#N)c(-c3ccccc3)c2c1- InChIKey
SIBVPRLQUHUHKY-UHFFFAOYSA-N- Molecular formula
- C22H21N3O2
- Average molar mass
- 359.4 g/mol
Names & identifiers
- Preferred name
- 1-(4-Hydroxypiperidin-1-yl)-6-methoxy-4-phenylisoquinoline-3-carbonitrile
- IUPAC
- 1-(4-hydroxypiperidin-1-yl)-6-methoxy-4-phenylisoquinoline-3-carbonitrile
Names & synonyms
SCHEMBL1383656SIBVPRLQUHUHKY-UHFFFAOYSA-N1-(4-hydroxypiperidin-1-yl)-6-methoxy-4-phenylisoquinoline-3-carbonitrile
Database identifiers
- PubChem CID
- 11428343
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 533
Related reactions
2 records
Compound notes
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