6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine

C9H16FN3 — CID 155700517

IUPAC6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine
SMILES[H]/N=C1\CCCC(F)N1/C(=N/[H])C(C)C
InChIInChI=1S/C9H16FN3/c1-6(2)9(12)13-7(10)4-3-5-8(13)11/h6-7,11-12H,3-5H2,1-2H3/b11-8+,12-9+
InChIKeyUFDVLBPUYDVKDM-HZOWPXDZSA-N
MW185.25 g/mol
LogP2.38
Rot. Bonds1

About 6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine

6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine (PubChem CID 155700517) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is 6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine.

Molecular Properties

Compound Name6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine
PubChem CID155700517
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine
SMILES[H]/N=C1\CCCC(F)N1/C(=N/[H])C(C)C
InChIInChI=1S/C9H16FN3/c1-6(2)9(12)13-7(10)4-3-5-8(13)11/h6-7,11-12H,3-5H2,1-2H3/b11-8+,12-9+
InChIKeyUFDVLBPUYDVKDM-HZOWPXDZSA-N
XLogP2.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine?
The IUPAC name of 6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine (CID 155700517) is 6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine.
What is the SMILES notation for 6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine?
The canonical SMILES for 6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine is [H]/N=C1\CCCC(F)N1/C(=N/[H])C(C)C.
What is the InChIKey of 6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine?
The InChIKey is UFDVLBPUYDVKDM-HZOWPXDZSA-N. The full InChI is InChI=1S/C9H16FN3/c1-6(2)9(12)13-7(10)4-3-5-8(13)11/h6-7,11-12H,3-5H2,1-2H3/b11-8+,12-9+.
What are the key properties of 6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine?
6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine has a molecular weight of 185.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-methylpropanimidoyl)piperidin-2-imine is sourced from PubChem (CID 155700517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).