1-(4-Nitro-3-piperidin-1-ylphenyl)piperazine
Basic information
- CAS
346704-04-9- Standard SMILES
O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCCCC1- InChIKey
IEZDTNCUMWPRTD-UHFFFAOYSA-N- Molecular formula
- C15H22N4O2
- Average molar mass
- 290.36 g/mol
- Monoisotopic mass
- 290.17427596
Names & identifiers
- Preferred name
- 1-(4-Nitro-3-piperidin-1-ylphenyl)piperazine
- IUPAC
- 1-(4-nitro-3-piperidin-1-ylphenyl)piperazine
- English name
- 1-(4-Nitro-3-piperidin-1-yl-phenyl)-piperazine
- Molecular formula
- C15H22N4O2
- Molecular weight
- 290.36
Names & synonyms
346704-04-91-(4-nitro-3-piperidin-1-ylphenyl)piperazineDTXSID20386616RefChem:225516DTXCID703376381-(4-Nitro-3-piperidin-1-yl-phenyl)-piperazine1-(4-Nitro-3-(piperidin-1-yl)phenyl)piperazine1-[4-nitro-3-(piperidin-1-yl)phenyl]piperazineMFCD01415681Piperazine, 1-[4-nitro-3-(1-piperidinyl)phenyl]-ZINC43441781-[4-nitro-3-(1-piperidyl)phenyl]piperazine
Show more names
CBI-BB ZERO/006269CHEMBRDG-BB 57618371-(4-nitro-3-piperidino-phenyl)piperazine1-(4-Nitro-3-piperidin-1-ylphenyl)piperazine - [N93447]1-(4-nitro-3-piperidin-1-ylphenyl)piperazine(SALTDATA: FREE)
1-[4-Nitro-3-(1-piperidinyl)phenyl]piperazine(4-nitro-3-piperidylphenyl)piperazineCambridge id 5761837Oprea1_807272MLS000718392CHEMBL1505269SCHEMBL22095062TIMTEC-BB SBB013988
Database identifiers
- CAS
346704-04-9- PubChem CID
- 2867076
- DTXSID
DTXSID20386616- ChEMBL
CHEMBL1505269
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
Solubility>43.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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