Basic information
- Standard SMILES
CCOC1CCC(N2CCC(Nc3cc(F)ccc3[N+](=O)[O-])CC2)CC1- InChIKey
DRHDJUOUKMUPRH-UHFFFAOYSA-N- Molecular formula
- C19H28FN3O3
- Average molar mass
- 365.4 g/mol
Names & identifiers
- Preferred name
- 1-[trans-4-(Ethyloxy)cyclohexyl]-N-(5-fluoro-2-nitrophenyl)-4-piperidinamine
- IUPAC
- 1-(4-ethoxycyclohexyl)-N-(5-fluoro-2-nitrophenyl)piperidin-4-amine
Names & synonyms
SCHEMBL606425SCHEMBL606426DRHDJUOUKMUPRH-QAQDUYKDSA-N1-[trans-4-(Ethyloxy)cyclohexyl]-N-(5-fluoro-2-nitrophenyl)-4-piperidinamine
Database identifiers
- PubChem CID
- 59565508
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 446
Related reactions
2 records
Compound notes
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