Basic information
- Standard SMILES
CCN(CC)C1=CCN(c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
PBIMNOMQWCGHRC-UHFFFAOYSA-N- Molecular formula
- C15H21N3O2
- Average molar mass
- 275.35 g/mol
Names & identifiers
- Preferred name
- 4-(N,N-diethylamino)-1-(4-nitrophenyl)-1,2,3,6-tetrahydropyridine
- IUPAC
- N,N-diethyl-1-(4-nitrophenyl)-3,6-dihydro-2H-pyridin-4-amine
Names & synonyms
SCHEMBL7292646PBIMNOMQWCGHRC-UHFFFAOYSA-N4-(N,N-diethylamino)-1-(4-nitrophenyl)-1,2,3,6-tetrahydropyridine
Database identifiers
- PubChem CID
- 19804346
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Related reactions
2 records
Compound notes
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