Basic information
- Standard SMILES
CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1- InChIKey
RZNGRSIQPOUALD-UHFFFAOYSA-N- Molecular formula
- C14H18ClN3O3
- Average molar mass
- 311.76 g/mol
Names & identifiers
- Preferred name
- 1-[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-2-methylpropan-1-one
- IUPAC
- 1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-2-methylpropan-1-one
Names & synonyms
354124-99-51-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-2-methylpropan-1-one1-(2-chloro-4-nitrophenyl)-4-isobutyrylpiperazine1-{2-chloro-4-nitrophenyl}-4-isobutyrylpiperazine1-(4-(2-chloro-4-nitrophenyl)piperazin-1-yl)-2-methylpropan-1-oneCBMicro_045653Oprea1_510869MLS000666613SCHEMBL2530564CHEMBL1409263RZNGRSIQPOUALD-UHFFFAOYSA-NHMS2544J11
Show more names
STK150249AKOS000427415UPCMLD0ENAT5652639:001SMR000268274ST053177BIM-0045498.P001AB00102653-01AN-988/14610030
Database identifiers
- PubChem CID
- 2886337
- ChEMBL
CHEMBL1409263
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 391
Related reactions
4 records
Compound notes
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