Basic information
- Standard SMILES
O=C(c1cccnc1-c1ccncn1)N1CCC(O)(Cc2ccc(F)cc2F)CC1- InChIKey
TWCOHNRUMXMWDR-UHFFFAOYSA-N- Molecular formula
- C22H20F2N4O2
- Average molar mass
- 410.4 g/mol
Names & identifiers
- Preferred name
- (4-(2,4-Difluorobenzyl)-4-hydroxypiperidin-1-yl)(2-(pyrimidin-4-yl)pyridin-3-yl)methanone
- IUPAC
- [4-[(2,4-difluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
Names & synonyms
SCHEMBL14840592TWCOHNRUMXMWDR-UHFFFAOYSA-N(4-(2,4-difluorobenzyl)-4-hydroxypiperidin-1-yl)(2-(pyrimidin-4-yl)pyridin-3-yl)methanone(4-(2,4-difluorobenzyl)-4-hydroxypiperidin-1-yl) (2-(pyrimidin-4-yl)pyridin-3-yl)methanone
Database identifiers
- PubChem CID
- 86680871
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 587
Related reactions
5 records
Compound notes
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