Basic information
- Standard SMILES
O=C(OCc1ccccc1)C1CCCN(C2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)C1- InChIKey
NAAALOQMAPEZFC-UHFFFAOYSA-N- Molecular formula
- C33H34N2O3
- Average molar mass
- 506.6 g/mol
- Monoisotopic mass
- 506.25694295
Names & identifiers
- Preferred name
- 1'-(Anthracene-9-carbonyl)-[1,4']bipiperidinyl-3-carboxylic acid benzyl ester
- IUPAC
- benzyl 1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidine-3-carboxylate
Names & synonyms
SCHEMBL6184506NAAALOQMAPEZFC-UHFFFAOYSA-N1'-(Anthracene-9-carbonyl)-[1,4']bipiperidinyl-3-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 86589865
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 780
Related reactions
2 records
Compound notes
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