Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(N2CCC[C@H]2COC(=O)c2ccccc2)CC1- InChIKey
LKSAWOASJYXVLL-IBGZPJMESA-N- Molecular formula
- C22H32N2O4
- Average molar mass
- 388.5 g/mol
Names & identifiers
- Preferred name
- 4-((S)-2-Benzoyloxymethyl-pyrrolidin-1-yl)-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[(2S)-2-(benzoyloxymethyl)pyrrolidin-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1085079LKSAWOASJYXVLL-IBGZPJMESA-N4-((S)-2-Benzoyloxymethyl-pyrrolidin-1-yl)-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66901549
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 531
Related reactions
6 records
Compound notes
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