Basic information
- Standard SMILES
CC(=O)c1ccc(C2CC(C)(C)CC(C)(C)C2)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1- InChIKey
DSNGVQYXLFAFKU-UHFFFAOYSA-N- Molecular formula
- C27H42N2O3
- Average molar mass
- 442.6 g/mol
Names & identifiers
- Preferred name
- 4-[5-Acetyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid t-butyl ester
- IUPAC
- tert-butyl 4-[5-acetyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL4850892DSNGVQYXLFAFKU-UHFFFAOYSA-N4-[5-Acetyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine-1-carboxylic acid t-butyl ester
Database identifiers
- PubChem CID
- 59769445
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 670
Related reactions
5 records
Compound notes
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