Basic information
- Standard SMILES
COc1cccc(C2(O)CCCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)C2)c1- InChIKey
YLQCKAICJPJDKG-UHFFFAOYSA-N- Molecular formula
- C20H22N2O5
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- [3-Hydroxy-3-(3-methoxyphenyl)-piperidine-1-yl]-(4-methyl-3-nitrophenyl)-methanone
- IUPAC
- [3-hydroxy-3-(3-methoxyphenyl)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone
Names & synonyms
SCHEMBL3086881YLQCKAICJPJDKG-UHFFFAOYSA-N[3-hydroxy-3-(3-methoxyphenyl)-piperidine-1-yl]-(4-methyl-3-nitrophenyl)-methanone
Database identifiers
- PubChem CID
- 11501567
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 551
Related reactions
2 records
Compound notes
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