2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine

C12H18N4O2 — CID 79175970

IUPAC2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine
SMILESCc1cc(N2CC(C)NCC2C)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-8-4-12(14-6-11(8)16(17)18)15-7-9(2)13-5-10(15)3/h4,6,9-10,13H,5,7H2,1-3H3
InChIKeyJLLYEORFQJFMSZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.48
Rot. Bonds2

About 2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine

2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine (PubChem CID 79175970) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine
PubChem CID79175970
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine
SMILESCc1cc(N2CC(C)NCC2C)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-8-4-12(14-6-11(8)16(17)18)15-7-9(2)13-5-10(15)3/h4,6,9-10,13H,5,7H2,1-3H3
InChIKeyJLLYEORFQJFMSZ-UHFFFAOYSA-N
XLogP1.48
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine?
The IUPAC name of 2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine (CID 79175970) is 2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine.
What is the SMILES notation for 2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine?
The canonical SMILES for 2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine is Cc1cc(N2CC(C)NCC2C)ncc1[N+](=O)[O-].
What is the InChIKey of 2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine?
The InChIKey is JLLYEORFQJFMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-4-12(14-6-11(8)16(17)18)15-7-9(2)13-5-10(15)3/h4,6,9-10,13H,5,7H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine?
2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine has a molecular weight of 250.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperazine is sourced from PubChem (CID 79175970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).