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Basic information
- Standard SMILES
Cc1cc(C(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-]- InChIKey
GOYMFLDMEUPCBZ-UHFFFAOYSA-N- Molecular formula
- C13H17N3O3
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.12699141
Names & identifiers
- Preferred name
- (3-Methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
- IUPAC
- (3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
Names & synonyms
(3-methyl-4-nitrophenyl)-(4-methylpiperazin-1-yl)methanone349399-06-0(3-methyl-4-nitrophenyl)(4-methylpiperazin-1-yl)methanoneCBMicro_009069Cambridge id 56524901-methyl-4-(3-methyl-4-nitrobenzoyl)piperazineOprea1_459771SCHEMBL2946066GOYMFLDMEUPCBZ-UHFFFAOYSA-NSMSF0006662STK050369AKOS001649445
Show more names
CCG-324140BIM-0009179.P001DB-189721EU-0009861ST506889983-methyl-4-nitrophenyl 4-methylpiperazinyl ketoneSR-01000215931SR-01000215931-1
Database identifiers
- PubChem CID
- 718014
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Related reactions
4 records
Compound notes
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