Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CCOc2ccccc2C(C)(C)C)CC1- InChIKey
KAAIEOBXQBMEJH-UHFFFAOYSA-N- Molecular formula
- C22H35NO3
- Average molar mass
- 361.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-[2-(2-tert-butylphenoxy)ethyl]piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[2-(2-tert-butylphenoxy)ethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3111125KAAIEOBXQBMEJH-UHFFFAOYSA-Ntert-butyl 4-[2-(2-tert-butylphenoxy)ethyl]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 59577273
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 441
Related reactions
2 records
Compound notes
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