Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(Oc3cc(Cl)ccc3[N+](=O)[O-])cc2)CC1- InChIKey
IBGDBYMJGFECBL-UHFFFAOYSA-N- Molecular formula
- C21H24ClN3O5
- Average molar mass
- 433.9 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-[4-(5-chloro-2-nitrophenoxy)phenyl]piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-(5-chloro-2-nitrophenoxy)phenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL5203502IBGDBYMJGFECBL-UHFFFAOYSA-Ntert-butyl 4-[4-(5-chloro-2-nitrophenoxy)phenyl]piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 17815432
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 592
Related reactions
4 records
Compound notes
Loading…