3-nitro-2,6-di(piperidin-1-yl)pyridine

C15H22N4O2 — CID 2741355

IUPAC3-nitro-2,6-di(piperidin-1-yl)pyridine
SMILESO=[N+]([O-])c1ccc(N2CCCCC2)nc1N1CCCCC1
InChIInChI=1S/C15H22N4O2/c20-19(21)13-7-8-14(17-9-3-1-4-10-17)16-15(13)18-11-5-2-6-12-18/h7-8H,1-6,9-12H2
InChIKeyBTDRVZHFTKDTHS-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.97
Rot. Bonds3

About 3-nitro-2,6-di(piperidin-1-yl)pyridine

3-nitro-2,6-di(piperidin-1-yl)pyridine (PubChem CID 2741355) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-nitro-2,6-di(piperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-nitro-2,6-di(piperidin-1-yl)pyridine
PubChem CID2741355
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-nitro-2,6-di(piperidin-1-yl)pyridine
SMILESO=[N+]([O-])c1ccc(N2CCCCC2)nc1N1CCCCC1
InChIInChI=1S/C15H22N4O2/c20-19(21)13-7-8-14(17-9-3-1-4-10-17)16-15(13)18-11-5-2-6-12-18/h7-8H,1-6,9-12H2
InChIKeyBTDRVZHFTKDTHS-UHFFFAOYSA-N
XLogP2.97
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
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-nitro-2,6-di(piperidin-1-yl)pyridine?
The IUPAC name of 3-nitro-2,6-di(piperidin-1-yl)pyridine (CID 2741355) is 3-nitro-2,6-di(piperidin-1-yl)pyridine.
What is the SMILES notation for 3-nitro-2,6-di(piperidin-1-yl)pyridine?
The canonical SMILES for 3-nitro-2,6-di(piperidin-1-yl)pyridine is O=[N+]([O-])c1ccc(N2CCCCC2)nc1N1CCCCC1.
What is the InChIKey of 3-nitro-2,6-di(piperidin-1-yl)pyridine?
The InChIKey is BTDRVZHFTKDTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-19(21)13-7-8-14(17-9-3-1-4-10-17)16-15(13)18-11-5-2-6-12-18/h7-8H,1-6,9-12H2.
What are the key properties of 3-nitro-2,6-di(piperidin-1-yl)pyridine?
3-nitro-2,6-di(piperidin-1-yl)pyridine has a molecular weight of 290.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2,6-di(piperidin-1-yl)pyridine is sourced from PubChem (CID 2741355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).