2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate

C36H33F6N6PRu — CID 137347811

About 2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate

2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate (PubChem CID 137347811) has the molecular formula C36H33F6N6PRu and a molecular weight of 795.73 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate.

Molecular Properties

• Compound Name: 2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
• PubChem CID: 137347811
• Molecular Formula: C36H33F6N6PRu
• Molecular Weight: 795.73 g/mol
• Exact Mass: 796.15
• IUPAC Name: 2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
• SMILES: F[P-](F)(F)(F)(F)F.[Ru+2].[c-]1ccc(N2CCCCC2)cc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C16H17N2.2C10H8N2.F6P.Ru/c1-4-11-18(12-5-1)15-8-6-7-14(13-15)16-9-2-3-10-17-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h2-3,6,8-10,13H,1,4-5,11-12H2;2*1-8H;;/q-1;;;-1;+2
• InChIKey: ZZWNSDCZVKVVSJ-UHFFFAOYSA-N
• XLogP: 11.21
• TPSA: 67.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.73
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?

The IUPAC name of 2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate (CID 137347811) is 2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate.

What is the SMILES notation for 2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?

The canonical SMILES for 2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate is F[P-](F)(F)(F)(F)F.[Ru+2].[c-]1ccc(N2CCCCC2)cc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?

The InChIKey is ZZWNSDCZVKVVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N2.2C10H8N2.F6P.Ru/c1-4-11-18(12-5-1)15-8-6-7-14(13-15)16-9-2-3-10-17-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h2-3,6,8-10,13H,1,4-5,11-12H2;2*1-8H;;/q-1;;;-1;+2.

What are the key properties of 2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate?

2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate has a molecular weight of 795.73 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-piperidin-1-ylbenzene-6-id-1-yl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate is sourced from PubChem (CID 137347811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).