Basic information
- Standard SMILES
N#Cc1ccccc1OCC(O)CN1CCN(c2ncccc2F)CC1- InChIKey
PHSPFTLYBSGIOF-UHFFFAOYSA-N- Molecular formula
- C19H21FN4O2
- Average molar mass
- 356.4 g/mol
Names & identifiers
- Preferred name
- 1-[3-(2-Cyanophenoxy)-2-hydroxypropyl]-4-(3-fluoro-2-pyridyl)piperazine
- IUPAC
- 2-[3-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]benzonitrile
Names & synonyms
SCHEMBL10889848PHSPFTLYBSGIOF-UHFFFAOYSA-N1-[3-(2-cyanophenoxy)-2-hydroxypropyl]-4-(3-fluoro-2-pyridyl)piperazine
Database identifiers
- PubChem CID
- 20232176
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 477
Related reactions
2 records
Compound notes
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