Basic information
- CAS
667453-27-2- Standard SMILES
CC(C)c1cccc(C(C)C)c1OC(=O)C1CCCNC1- InChIKey
SNWDDLCDQYMDKE-UHFFFAOYSA-N- Molecular formula
- C18H27NO2
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.2041791
Names & identifiers
- Preferred name
- 3-Piperidinecarboxylic acid, 2,6-bis(1-methylethyl)phenyl ester
- IUPAC
- [2,6-di(propan-2-yl)phenyl] piperidine-3-carboxylate
Names & synonyms
3-Piperidinecarboxylic acid, 2,6-bis(1-methylethyl)phenyl ester667453-27-2DTXSID804354372,6-Di(propan-2-yl)phenyl piperidine-3-carboxylate
Database identifiers
- CAS
667453-27-2- PubChem CID
- 10085582
- DTXSID
DTXSID80435437
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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