(3S,4S)-3-[(S)-3-(4-fluorobenzyl)-piperidin-1-ylmethyl]-4-[(R)-1-phenyl-ethylamino]-pyrrolidine-1-carboxylic acid tert-butyl ester
Basic information
- Standard SMILES
C[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1)c1ccccc1- InChIKey
QEDLIPXTPQGHLV-PWKYGKGFSA-N- Molecular formula
- C30H42FN3O2
- Average molar mass
- 495.7 g/mol
Names & identifiers
- Preferred name
- (3S,4S)-3-[(S)-3-(4-fluorobenzyl)-piperidin-1-ylmethyl]-4-[(R)-1-phenyl-ethylamino]-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (3S,4S)-3-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-[[(1R)-1-phenylethyl]amino]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL6346295QEDLIPXTPQGHLV-PWKYGKGFSA-N(3s, 4s)-3-[(s)-3-(4-fluorobenzyl)-piperidin-1-ylmethyl]-4-[(r)-1-phenyl-ethylamino]-pyrrolidine-1-carboxylic acid tert-butyl ester(3S,4S)-3-[(S)-3-(4-fluorobenzyl)-piperidin-1-ylmethyl]-4-[(R)-1-phenyl-ethylamino]-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69748103
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 684
Related reactions
4 records
Compound notes
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