Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CCN(c2cccc([N+](=O)[O-])c2)CC1- InChIKey
KMLYSSLRVSHVQR-UHFFFAOYSA-N- Molecular formula
- C16H23N3O4
- Average molar mass
- 321.37 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-[1-(3-nitrophenyl)piperidin-4-yl]carbamate
- IUPAC
- tert-butyl N-[1-(3-nitrophenyl)piperidin-4-yl]carbamate
Names & synonyms
461720-05-8SCHEMBL3256239DA-42403
Database identifiers
- PubChem CID
- 58801078
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
Related reactions
1 records
Compound notes
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