1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine
Basic information
- CAS
5882-37-1- Standard SMILES
O=[N+]([O-])c1cccc(CN2CCN(Cc3ccco3)CC2)c1- InChIKey
IBMIEFGZLDSKLM-UHFFFAOYSA-N- Molecular formula
- C16H19N3O3
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.14264148
Names & identifiers
- Preferred name
- 1-(2-Furylmethyl)-4-(3-nitrobenzyl)piperazine
- IUPAC
- 1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine
Names & synonyms
1-(2-furylmethyl)-4-(3-nitrobenzyl)piperazine1-(furan-2-ylmethyl)-4-(3-nitrobenzyl)piperazine5882-37-11-(2-furylmethyl)-4-{3-nitrobenzyl}piperazine1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazineCBKinase1_000961CBKinase1_013361Cambridge id 5882371Oprea1_484956Oprea1_752930CHEMBL1617047SCHEMBL15708753
Show more names
DTXSID60974334SMSF0009163STK145384AKOS000554025CB00076ST45156427AB00100234-01AK-968/13150202
Database identifiers
- CAS
5882-37-1- PubChem CID
- 737872
- DTXSID
DTXSID60974334- ChEMBL
CHEMBL1617047
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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