(2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine

C11H14N4O4 — CID 94546231

IUPAC(2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4/c1-8-7-12-4-5-13(8)10-3-2-9(14(16)17)6-11(10)15(18)19/h2-3,6,8,12H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyIORQFQFFZQLXIQ-MRVPVSSYSA-N
MW266.26 g/mol
LogP1.30
Rot. Bonds3

About (2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine

(2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine (PubChem CID 94546231) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is (2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine
PubChem CID94546231
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name(2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O4/c1-8-7-12-4-5-13(8)10-3-2-9(14(16)17)6-11(10)15(18)19/h2-3,6,8,12H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyIORQFQFFZQLXIQ-MRVPVSSYSA-N
XLogP1.30
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-nitrophenyl)-2-methylpiperazine
CID 62672836
(2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine
CID 66835625
(2R)-2-methyl-1-(2-nitrophenyl)piperazine
CID 54528666
2-methyl-1-(2-methylsulfonyl-5-nitrophenyl)piperazine;dihydrochloride
CID 166174854
1-(3-methoxy-4-nitrophenyl)-2-methylpiperazine
CID 63671862
2-(2-ethylpiperazin-1-yl)-5-nitrophenol
CID 145202698
2-(2-methylpiperazin-1-yl)-5-nitro-1,3-benzothiazole;hydrochloride
CID 71639524
1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine
CID 62673540
(2R)-2-methyl-1-(4-nitrophenyl)sulfonylpiperazine
CID 82755992
(2S)-1-(2-methoxy-5-nitrophenyl)sulfonyl-2-methylpiperazine
CID 82744915
2-methyl-1-(3-nitrophenyl)sulfonylpiperazine
CID 62672435
8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride
CID 164523347

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine?
The IUPAC name of (2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine (CID 94546231) is (2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine.
What is the SMILES notation for (2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine?
The canonical SMILES for (2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine is C[C@@H]1CNCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of (2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine?
The InChIKey is IORQFQFFZQLXIQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-8-7-12-4-5-13(8)10-3-2-9(14(16)17)6-11(10)15(18)19/h2-3,6,8,12H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine?
(2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine has a molecular weight of 266.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine is sourced from PubChem (CID 94546231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).