1-Methyl-4-(2'-methyl-6-nitro-biphenyl-3-yl)-piperazine
Basic information
- Standard SMILES
Cc1ccccc1-c1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-]- InChIKey
VKWQPILRYYGNQD-UHFFFAOYSA-N- Molecular formula
- C18H21N3O2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.16337692
Names & identifiers
- Preferred name
- 1-Methyl-4-(2'-methyl-6-nitro-biphenyl-3-yl)-piperazine
- IUPAC
- 1-methyl-4-[3-(2-methylphenyl)-4-nitrophenyl]piperazine
Names & synonyms
SCHEMBL2908099VKWQPILRYYGNQD-UHFFFAOYSA-NDB-1476851-Methyl-4-(2 '-methyl-6-nitro-biphenyl-3-yl)-piperazine1-Methyl-4-(2'-methyl-6-nitro-biphenyl-3-yl)-piperazine1-Methyl-4-(2'-methyl-6-nitro[1,1'-biphenyl]-3-yl)piperazine885692-96-6
Database identifiers
- PubChem CID
- 59128596
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 404
Related reactions
6 records
Compound notes
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