Basic information
- Standard SMILES
CN1CCC(COCc2cc(-c3ccc(C#N)cc3)cc(C(F)(F)F)c2)(c2ccncc2)CC1- InChIKey
LZUHBKNNHRSVBF-UHFFFAOYSA-N- Molecular formula
- C27H26F3N3O
- Average molar mass
- 465.5 g/mol
- Monoisotopic mass
- 465.20279695
Names & identifiers
- Preferred name
- 3'-(((1-Methyl-4-(pyridin-4-yl)piperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile
- IUPAC
- 4-[3-[(1-methyl-4-pyridin-4-ylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
Names & synonyms
3'-(((1-Methyl-4-(pyridin-4-yl)piperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrileSCHEMBL3590589
Database identifiers
- PubChem CID
- 58993463
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 683
Related reactions
2 records
Compound notes
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