Tert-butyl 4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate
Basic information
- CAS
1354953-23-3- Standard SMILES
Cc1ccccc1C1CCN(C(=O)OC(C)(C)C)CC1=O- InChIKey
RBNAHFRUHQYWED-UHFFFAOYSA-N- Molecular formula
- C17H23NO3
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.1677936
Names & identifiers
- Preferred name
- Tert-butyl 4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate
Names & synonyms
tert-butyl 4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate1354953-23-3DTXSID901135663EN300-94534tert-butyl4-(2-methylphenyl)-3-oxopiperidine-1-carboxylate1-Piperidinecarboxylic acid, 4-(2-methylphenyl)-3-oxo-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1354953-23-3- PubChem CID
- 54596019
- DTXSID
DTXSID901135663
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
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Compound notes
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