[4-[(2-Methylphenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone
Basic information
- CAS
5934-81-6- Standard SMILES
Cc1ccccc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
SIPLCMPYQSANLN-UHFFFAOYSA-N- Molecular formula
- C19H21N3O3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.15829154
Names & identifiers
- Preferred name
- [4-[(2-Methylphenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone
- IUPAC
- [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone
Names & synonyms
5934-81-61-(2-methylbenzyl)-4-(4-nitrobenzoyl)piperazineCambridge id 5934816Oprea1_078785Oprea1_281026DTXSID10974763[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanoneAKOS000549963ST50010227AB00101376-014-[(2-methylphenyl)methyl]piperazinyl 4-nitrophenyl ketone{4-[(2-Methylphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone
Show more names
{4-[(2-methylphenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Database identifiers
- CAS
5934-81-6- PubChem CID
- 695077
- DTXSID
DTXSID10974763
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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