6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine

C₉H₁₅F₂N₃ — CID 155700756

About 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine

6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine (PubChem CID 155700756) has the molecular formula C₉H₁₅F₂N₃ and a molecular weight of 203.24 g/mol. Its IUPAC name is 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine.

Molecular Properties

• Compound Name: 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine
• PubChem CID: 155700756
• Molecular Formula: C₉H₁₅F₂N₃
• Molecular Weight: 203.24 g/mol
• Exact Mass: 203.12
• IUPAC Name: 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine
• SMILES: [H]/N=C1\CCCC(F)(F)N1/C(=N/[H])C(C)C
• InChI: InChI=1S/C9H15F2N3/c1-6(2)8(13)14-7(12)4-3-5-9(14,10)11/h6,12-13H,3-5H2,1-2H3/b12-7+,13-8+
• InChIKey: BRERYFPWNJZBFJ-INOXDZRUSA-N
• XLogP: 2.68
• TPSA: 50.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	203.24
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine?

The IUPAC name of 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine (CID 155700756) is 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine.

What is the SMILES notation for 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine?

The canonical SMILES for 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine is [H]/N=C1\CCCC(F)(F)N1/C(=N/[H])C(C)C.

What is the InChIKey of 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine?

The InChIKey is BRERYFPWNJZBFJ-INOXDZRUSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-6(2)8(13)14-7(12)4-3-5-9(14,10)11/h6,12-13H,3-5H2,1-2H3/b12-7+,13-8+.

What are the key properties of 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine?

6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine has a molecular weight of 203.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6-difluoro-1-(2-methylpropanimidoyl)piperidin-2-imine is sourced from PubChem (CID 155700756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155700756 — identifiers, structure, computed properties (public domain)

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