Basic information
- CAS
6208-69-1- Standard SMILES
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2C)cc1- InChIKey
OTHPDXPDWBIIHB-UHFFFAOYSA-N- Molecular formula
- C19H21N3O3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.15829154
Names & identifiers
- Preferred name
- ST053252
- IUPAC
- [2-methyl-4-(4-nitrophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
Names & synonyms
ST0532526208-69-1DTXSID20387461RefChem:381410DTXCID70338483[2-methyl-4-(4-nitrophenyl)piperazin-1-yl](4-methylphenyl)methanone[2-methyl-4-(4-nitrophenyl)piperazin-1-yl]-(4-methylphenyl)methanoneCBMicro_003101Cambridge id 6208691Oprea1_723984SMSF0017602STK148688
Show more names
AKOS000424342AKOS022084982CB04774BIM-0003063.P001AG-690/11663513SR-01000531406SR-01000531406-14-{4-nitrophenyl}-2-methyl-1-(4-methylbenzoyl)piperazine
Database identifiers
- CAS
6208-69-1- PubChem CID
- 2890640
- DTXSID
DTXSID20387461
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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