5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine

C15H25FN4 — CID 145338909

IUPAC5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC[C@H]1C.[H]/N=C/n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C9H19N.C6H6FN3/c1-8(2)10-7-5-4-6-9(10)3;7-5-1-2-6(9)10(3-5)4-8/h8-9H,4-7H2,1-3H3;1-4,8-9H/b;8-4+,9-6+/t9-;/m1./s1
InChIKeyVLIDWIPRKKBWLC-USWLCGMJSA-N
MW280.39 g/mol
LogP2.83
Rot. Bonds2

About 5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine

5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine (PubChem CID 145338909) has the molecular formula C15H25FN4 and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine
PubChem CID145338909
Molecular FormulaC15H25FN4
Molecular Weight280.39 g/mol
Exact Mass280.21
IUPAC Name5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCCC[C@H]1C.[H]/N=C/n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C9H19N.C6H6FN3/c1-8(2)10-7-5-4-6-9(10)3;7-5-1-2-6(9)10(3-5)4-8/h8-9H,4-7H2,1-3H3;1-4,8-9H/b;8-4+,9-6+/t9-;/m1./s1
InChIKeyVLIDWIPRKKBWLC-USWLCGMJSA-N
XLogP2.83
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine?
The IUPAC name of 5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine (CID 145338909) is 5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine?
The canonical SMILES for 5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine is CC(C)N1CCCC[C@H]1C.[H]/N=C/n1cc(F)cc/c1=N\[H].
What is the InChIKey of 5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine?
The InChIKey is VLIDWIPRKKBWLC-USWLCGMJSA-N. The full InChI is InChI=1S/C9H19N.C6H6FN3/c1-8(2)10-7-5-4-6-9(10)3;7-5-1-2-6(9)10(3-5)4-8/h8-9H,4-7H2,1-3H3;1-4,8-9H/b;8-4+,9-6+/t9-;/m1./s1.
What are the key properties of 5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine?
5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine has a molecular weight of 280.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methanimidoylpyridin-2-imine;(2R)-2-methyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 145338909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).