Basic information
- Standard SMILES
COC(=O)C1CCN(C(=O)OC)C(c2ccc(C(C)(C)C)cc2)C1- InChIKey
QQFIYBTXWROEOQ-UHFFFAOYSA-N- Molecular formula
- C19H27NO4
- Average molar mass
- 333.4 g/mol
Names & identifiers
- Preferred name
- Dimethyl 2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylate
- IUPAC
- dimethyl 2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylate
Names & synonyms
SCHEMBL586744QQFIYBTXWROEOQ-UHFFFAOYSA-Ndimethyl 2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylate
Database identifiers
- PubChem CID
- 66734603
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Related reactions
4 records
Compound notes
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