1-(1-Methyl-4-nitro-1H-imidazol-5-yl)piperidine
Basic information
- CAS
17024-55-4- Standard SMILES
Cn1cnc([N+](=O)[O-])c1N1CCCCC1- InChIKey
NKEBPMPZKOQQGH-UHFFFAOYSA-N- Molecular formula
- C9H14N4O2
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.1116757
Names & identifiers
- Preferred name
- 1-(1-Methyl-4-nitro-1H-imidazol-5-yl)piperidine
- IUPAC
- 1-(3-methyl-5-nitroimidazol-4-yl)piperidine
Names & synonyms
1-(1-methyl-4-nitro-1H-imidazol-5-yl)piperidine17024-55-4DTXSID80319243RefChem:222536DTXCID40270366NSC342708Oprea1_115480SCHEMBL10532454STK527673AKOS005460788NSC-342708DS-012246
Show more names
imidazole, 1-methyl-4-nitro-5-piperidino-PIPERIDINE,1-(1-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)-
Database identifiers
- CAS
17024-55-4- PubChem CID
- 334989
- DTXSID
DTXSID80319243- Nikkaji
- J3.100.675I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
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Compound notes
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