Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(C)(C(=O)CC#N)CC1- InChIKey
RUVUXLNBUSXMDH-UHFFFAOYSA-N- Molecular formula
- C14H22N2O3
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.16304257
Names & identifiers
- Preferred name
- 4-(2-Cyanoacetyl)-4-methylpiperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(2-cyanoacetyl)-4-methylpiperidine-1-carboxylate
Names & synonyms
946517-86-8SCHEMBL3964475RUVUXLNBUSXMDH-UHFFFAOYSA-NDA-003554-(2-cyanoacetyl)-4-methylpiperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68857057
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 406
Related reactions
3 records
Compound notes
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