Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Nc2cccc(C#N)c2)CC1- InChIKey
CZWWGGWJPUUXTN-UHFFFAOYSA-N- Molecular formula
- C17H23N3O2
- Average molar mass
- 301.4 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 4-[(3-cyanophenyl)amino]-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-(3-cyanoanilino)piperidine-1-carboxylate
Names & synonyms
SCHEMBL377671CZWWGGWJPUUXTN-UHFFFAOYSA-N1,1-Dimethylethyl 4-[(3-cyanophenyl)amino]-1-piperidinecarboxylate4-(3-Cyano-phenylamino)-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 25223796
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Related reactions
15 records
Linked notes
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