Basic information
- Standard SMILES
CC(C)OC(=O)N1CCC(ON=C2CCN(c3ncc(CO)cc3F)CC2)CC1- InChIKey
OURVMPQTAMJCAW-UHFFFAOYSA-N- Molecular formula
- C20H29FN4O4
- Average molar mass
- 408.5 g/mol
Names & identifiers
- Preferred name
- 4-(3'-Fluoro-5'-hydroxymethyl-2,3,5,6-tetrahydro-[1,2']bipyridinyl-4-ylideneaminooxy)-piperidine-1-carboxylic acid isopropyl ester
- IUPAC
- propan-2-yl 4-[[1-[3-fluoro-5-(hydroxymethyl)-2-pyridinyl]piperidin-4-ylidene]amino]oxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL2185038OURVMPQTAMJCAW-UHFFFAOYSA-N4-(3'-Fluoro-5'-hydroxymethyl-2,3,5,6-tetrahydro-[1,2']bipyridinyl-4-ylideneaminooxy)-piperidine-1-carboxylic acid isopropyl ester
Database identifiers
- PubChem CID
- 58333605
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 559
Related reactions
2 records
Compound notes
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