Basic information
- Standard SMILES
O=[N+]([O-])c1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1OCc1ccccc1- InChIKey
LWIFGQDYNNXPME-UHFFFAOYSA-N- Molecular formula
- C27H30N2O4
- Average molar mass
- 446.5 g/mol
Names & identifiers
- Preferred name
- 4-Benzyl-1-(2-(4-benzyloxy-3-nitrophenoxy)ethyl)piperidine
- IUPAC
- 4-benzyl-1-[2-(3-nitro-4-phenylmethoxyphenoxy)ethyl]piperidine
Names & synonyms
SCHEMBL7403135LWIFGQDYNNXPME-UHFFFAOYSA-N4-benzyl-1-(2-(4-benzyloxy-3-nitrophenoxy)ethyl)piperidine
Database identifiers
- PubChem CID
- 23294452
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 563
Related reactions
3 records
Compound notes
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