Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C(C(O)(Cc2ccccc2)Cc2ccccc2)C1- InChIKey
RXJRJEKLQBJYAM-UHFFFAOYSA-N- Molecular formula
- C29H40N2O5
- Average molar mass
- 496.6 g/mol
Names & identifiers
- Preferred name
- Bis(1,1-dimethylethyl)2-[1-hydroxy-2-phenyl-1-(phenylmethyl)ethyl]-1,4-piperazinedicarboxylate
- IUPAC
- ditert-butyl 2-(2-hydroxy-1,3-diphenylpropan-2-yl)piperazine-1,4-dicarboxylate
Names & synonyms
SCHEMBL6039952RXJRJEKLQBJYAM-UHFFFAOYSA-NBis(1,1-dimethylethyl)2-[1-hydroxy-2-phenyl-1-(phenylmethyl)ethyl]-1,4-piperazinedicarboxylate
Database identifiers
- PubChem CID
- 69645682
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 709
Related reactions
1 records
Compound notes
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