Basic information
- Standard SMILES
Cc1ccc(CC2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1- InChIKey
HLXOWAPVMVUYAB-UHFFFAOYSA-N- Molecular formula
- C21H26N2O3
- Average molar mass
- 354.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-Methylbenzyl)-1-[2-(4-nitrophenoxy)ethyl]piperidine
- IUPAC
- 4-[(4-methylphenyl)methyl]-1-[2-(4-nitrophenoxy)ethyl]piperidine
Names & synonyms
SCHEMBL7405430HLXOWAPVMVUYAB-UHFFFAOYSA-N4-(4-methylbenzyl)-1-[2-(4-nitrophenoxy)ethyl]piperidine4-(-4-Methylbenzyl)-1-(2-(4-nitrophenoxy)ethyl)piperidine
Database identifiers
- PubChem CID
- 23294237
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 415
Related reactions
2 records
Compound notes
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