Completing data — usually done within a minute
Basic information
- CAS
1462950-95-3- Standard SMILES
CC(C)Oc1cc(N2CCN(C)CC2)ncc1[N+](=O)[O-]- InChIKey
RWGPQIMQNQRGEE-UHFFFAOYSA-N- Molecular formula
- C13H20N4O3
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.15354051
Names & identifiers
- Preferred name
- 1-Methyl-4-[5-nitro-4-(propan-2-yloxy)pyridin-2-yl]piperazine
- IUPAC
- 1-methyl-4-(5-nitro-4-propan-2-yloxy-2-pyridinyl)piperazine
Names & synonyms
1462950-95-31-methyl-4-[5-nitro-4-(propan-2-yloxy)pyridin-2-yl]piperazineSCHEMBL15283582RWGPQIMQNQRGEE-UHFFFAOYSA-NDTXSID601183306DA-442791-Methyl-4-[4-(1-methylethoxy)-5-nitro-2-pyridinyl]piperazine1-Methyl-4-{5-nitro-4-[(propan-2-yl)oxy]pyridin-2-yl}piperazine
Database identifiers
- CAS
1462950-95-3- PubChem CID
- 86697995
- DTXSID
DTXSID601183306
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Related reactions
2 records
Compound notes
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