Basic information
- Standard SMILES
COc1ccc(N2CCC(NC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1- InChIKey
HLJHSQIHFQZVCH-UHFFFAOYSA-N- Molecular formula
- C17H25N3O5
- Average molar mass
- 351.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 1-(4-methoxy-2-nitrophenyl)piperidin-4-ylcarbamate
- IUPAC
- tert-butyl N-[1-(4-methoxy-2-nitrophenyl)piperidin-4-yl]carbamate
Names & synonyms
SCHEMBL4439231HLJHSQIHFQZVCH-UHFFFAOYSA-NDB-101850tert-butyl 1-(4-methoxy-2-nitrophenyl)piperidin-4-ylcarbamate1052705-27-7
Database identifiers
- PubChem CID
- 69044880
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 466
Related reactions
1 records
Compound notes
Loading…