Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1- InChIKey
AZSJSOYCXYGLOR-UHFFFAOYSA-N- Molecular formula
- C17H22N4O4
- Average molar mass
- 346.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 1-(4-cyano-2-nitrophenyl)piperidin-3-ylcarbamate
- IUPAC
- tert-butyl N-[1-(4-cyano-2-nitrophenyl)piperidin-3-yl]carbamate
Names & synonyms
1052705-46-0SCHEMBL4439333AZSJSOYCXYGLOR-UHFFFAOYSA-NDB-199079tert-butyl 1-(4-cyano-2-nitrophenyl)piperidin-3-ylcarbamateCarbamic acid, N-[1-(4-cyano-2-nitrophenyl)-3-piperidinyl]-, 1,1-dimethylethyl esterN-[1-(4-cyano-2-nitrophenyl)-3-piperidinyl]carbamic acid 1,1-dimethylethyl ester
Database identifiers
- PubChem CID
- 69044928
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 545
Related reactions
1 records
Compound notes
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