Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H](C(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)C1- InChIKey
HLLQKRDVGVJOOL-DFQSSKMNSA-N- Molecular formula
- C23H34FN3O3
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.25842012
Names & identifiers
- Preferred name
- (3R,4R)-4-amino-3-[(S)-3-(4-fluoro-benzyl)-piperidine-1-carbonyl]-piperidine-1-carboxylic acid t-butyl ester
- IUPAC
- tert-butyl (3R,4R)-4-amino-3-[(3S)-3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL6348614HLLQKRDVGVJOOL-DFQSSKMNSA-N(3R,4R)-4-amino-3-[(S)-3-(4-fluoro-benzyl)-piperidine-1-carbonyl]-piperidine-1-carboxylic acid t-butyl ester
Database identifiers
- PubChem CID
- 69748878
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 601
Related reactions
11 records
Compound notes
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