3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine

C11H16N4O2 — CID 82994580

IUPAC3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine
SMILESCC1(C)CN(c2ccc([N+](=O)[O-])nc2)CCN1
InChIInChI=1S/C11H16N4O2/c1-11(2)8-14(6-5-13-11)9-3-4-10(12-7-9)15(16)17/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyWNIHZRIROJJJPP-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.18
Rot. Bonds2

About 3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine

3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine (PubChem CID 82994580) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine
PubChem CID82994580
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine
SMILESCC1(C)CN(c2ccc([N+](=O)[O-])nc2)CCN1
InChIInChI=1S/C11H16N4O2/c1-11(2)8-14(6-5-13-11)9-3-4-10(12-7-9)15(16)17/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyWNIHZRIROJJJPP-UHFFFAOYSA-N
XLogP1.18
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.18
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 3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine?
The IUPAC name of 3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine (CID 82994580) is 3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine.
What is the SMILES notation for 3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine?
The canonical SMILES for 3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine is CC1(C)CN(c2ccc([N+](=O)[O-])nc2)CCN1.
What is the InChIKey of 3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine?
The InChIKey is WNIHZRIROJJJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-11(2)8-14(6-5-13-11)9-3-4-10(12-7-9)15(16)17/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine?
3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine has a molecular weight of 236.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(6-nitro-3-pyridinyl)piperazine is sourced from PubChem (CID 82994580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).