Basic information
- CAS
644982-19-4- Standard SMILES
CCOC(=O)C(C#N)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1- InChIKey
RDTBSWDCUPHWQW-UHFFFAOYSA-N- Molecular formula
- C21H28N2O4
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.20490738
Names & identifiers
- Preferred name
- 4-(1-Cyano-2-ethoxy-2-oxoethyl)-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethyl)-4-phenylpiperidine-1-carboxylate
Names & synonyms
644982-19-44-(1-cyano-2-ethoxy-2-oxoethyl)-4-phenyl-1-piperidinecarboxylic acid tert-butyl esterSCHEMBL4407528DTXSID60469654TERT-BUTYL 4-(1-CYANO-2-ETHOXY-2-OXOETHYL)-4-PHENYLPIPERIDINE-1-CARBOXYLATE
Database identifiers
- CAS
644982-19-4- PubChem CID
- 11624929
- DTXSID
DTXSID60469654
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 573
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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