4-(Bromo-cyano-methylidene)-piperidine-1-carboxylic acid tert-butyl ester
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(=C(Br)C#N)CC1- InChIKey
MZKSDTRMSYSLLM-UHFFFAOYSA-N- Molecular formula
- C12H17BrN2O2
- Average molar mass
- 301.18 g/mol
Names & identifiers
- Preferred name
- 4-(Bromo-cyano-methylidene)-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[bromo(cyano)methylidene]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3559112MZKSDTRMSYSLLM-UHFFFAOYSA-NDB-433481tert-butyl 4-(bromo(cyano)methylene)piperidine-1-carboxylate4-(bromo-cyano-methylidene)-piperidine-1-carboxylic acid tert-butyl ester878591-93-6
Database identifiers
- PubChem CID
- 59342425
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 377
Related reactions
2 records
Compound notes
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