Basic information
- Standard SMILES
Cc1cc(C)nc(N2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)c1- InChIKey
QXJUPTQIKSEKEG-UHFFFAOYSA-N- Molecular formula
- C18H22N4O2
- Average molar mass
- 326.4 g/mol
Names & identifiers
- Preferred name
- 1-(4,6-Dimethyl-pyridin-2-yl)-4-(3-methyl-4-nitro-phenyl)-piperazine
- IUPAC
- 1-(4,6-dimethyl-2-pyridinyl)-4-(3-methyl-4-nitrophenyl)piperazine
Names & synonyms
SCHEMBL1019705QXJUPTQIKSEKEG-UHFFFAOYSA-N1-(4,6-dimethyl-pyridin-2-yl)-4-(3-methyl-4-nitro-phenyl)-piperazine
Database identifiers
- PubChem CID
- 66878435
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 433
Related reactions
2 records
Compound notes
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