Basic information
- Standard SMILES
CCC1CCCC(C(O)[C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)N1C(=O)OC(C)(C)C- InChIKey
JNJGFKVWCWXTFM-JYENWALWSA-N- Molecular formula
- C35H46N2O3
- Average molar mass
- 542.7 g/mol
Names & identifiers
- Preferred name
- 2-((2S)-2-Dibenzylamino-1-hydroxy-3-phenylpropyl)-6-ethylpiperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[(2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]-6-ethylpiperidine-1-carboxylate
Names & synonyms
SCHEMBL4360263JNJGFKVWCWXTFM-JYENWALWSA-N2-((2S)-2-Dibenzylamino-1-hydroxy-3-phenylpropyl)-6-ethylpiperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69015925
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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