Basic information
- CAS
40224-22-4- Standard SMILES
O=[N+]([O-])c1ccc(CN2CCN(c3ccccc3)CC2)cc1- InChIKey
PIBSNEKGYCHCSG-UHFFFAOYSA-N- Molecular formula
- C17H19N3O2
- Average molar mass
- 297.35 g/mol
- Monoisotopic mass
- 297.14772686
Names & identifiers
- Preferred name
- 1-(4-Nitrobenzyl)-4-phenylpiperazine
- IUPAC
- 1-[(4-nitrophenyl)methyl]-4-phenylpiperazine
Names & synonyms
1-(4-nitrobenzyl)-4-phenylpiperazine40224-22-4DTXSID90293429RefChem:225522DTXCID602445691-[(4-nitrophenyl)methyl]-4-phenylpiperazinePiperazine,1-[(4-nitrophenyl)methyl]-4-phenyl-NSC89455Cambridge id 5264317NCIOpen2_005585Oprea1_648195CBDivE_013377
Show more names
SCHEMBL3151686PIBSNEKGYCHCSG-UHFFFAOYSA-NNSC-894551-phenyl-4-(p-nitrobenzyl)piperazineAKOS034383947DS-021053AB00077745-01SR-01000202043
Database identifiers
- CAS
40224-22-4- PubChem CID
- 259488
- DTXSID
DTXSID90293429- Nikkaji
- J846.386G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 349
Related reactions
3 records
Compound notes
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