CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C
CAS: 681004-49-9
Name: 1-methyl-4-(2-methyl-4-nitrophenyl)piperazine
SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C

Molecular Processing

Molecular formula
C12H17N3O2
Molecular weight
235.29
Exact mass
235.1321
XLogP
1.66
TPSA
49.62
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
67.54

Supplementary Information

InChIKey: DUUNJNHSMBYVAY-UHFFFAOYSA-N
Synonyme
1-Methyl-4-(2-methyl-4-nitrophenyl)piperazine681004-49-9MFCD110396544-(4-methylpiperazin-1-yl)-3-methylnitrobenzeneSCHEMBL398803Piperazine, 1-methyl-4-(2-methyl-4-nitrophenyl)-SCHEMBL15961236SCHEMBL30410222DTXSID80593788DUUNJNHSMBYVAY-UHFFFAOYSA-NSTL497391AKOS005147556AS-66691DA-29186CS-00469424-(4-methylpiperazinyl)-3-methylnitrobenzene1-methyl-4-(2-methyl-4-nitro-phenyl)piperazineF215119
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