Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(O)CN1CCC(C#N)(c2ccc(Br)cn2)CC1- InChIKey
SOFSISVTGSPZAV-UHFFFAOYSA-N- Molecular formula
- C15H20BrN3O
- Average molar mass
- 338.24 g/mol
- Monoisotopic mass
- 337.07897
Names & identifiers
- Preferred name
- 4-(5-Bromopyridin-2-yl)-1-(2-hydroxy-2-methylpropyl)piperidine-4-carbonitrile
- IUPAC
- 4-(5-bromo-2-pyridinyl)-1-(2-hydroxy-2-methylpropyl)piperidine-4-carbonitrile
Names & synonyms
SCHEMBL15167640SOFSISVTGSPZAV-UHFFFAOYSA-N4-(5-bromopyridin-2-yl)-1-(2-hydroxy-2-methylpropyl)piperidine-4-carbonitrile
Database identifiers
- PubChem CID
- 86692467
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Related reactions
2 records
Compound notes
Loading…