2-Nitro-4-[(4-phenylpiperazin-1-yl)methyl]phenol
Basic information
- CAS
200195-21-7- Standard SMILES
O=[N+]([O-])c1cc(CN2CCN(c3ccccc3)CC2)ccc1O- InChIKey
RFOOCTIUWMGNJG-UHFFFAOYSA-N- Molecular formula
- C17H19N3O3
- Average molar mass
- 313.35 g/mol
- Monoisotopic mass
- 313.14264148
Names & identifiers
- Preferred name
- 2-Nitro-4-[(4-phenylpiperazin-1-yl)methyl]phenol
- IUPAC
- 2-nitro-4-[(4-phenylpiperazin-1-yl)methyl]phenol
Names & synonyms
2-Nitro-4-[(4-phenyl-1-piperazinyl)methyl]phenol2-nitro-4-[(4-phenylpiperazin-1-yl)methyl]phenol200195-21-7Cambridge id 5419223Oprea1_599944SCHEMBL6972006DTXSID201237931AB00084551-01SR-01000208408SR-01000208408-1
Database identifiers
- CAS
200195-21-7- PubChem CID
- 782298
- DTXSID
DTXSID201237931
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
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Compound notes
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