1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine

C13H19FN4 — CID 130306321

IUPAC1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine
SMILES[H]/N=C(\N1[C@H](C)CCC[C@@H]1C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C13H19FN4/c1-9-4-3-5-10(2)18(9)13(16)17-8-11(14)6-7-12(17)15/h6-10,15-16H,3-5H2,1-2H3/b15-12+,16-13-/t9-,10+
InChIKeyLCBSTHJYXNMDDW-VKACSAMSSA-N
MW250.32 g/mol
LogP2.15
Rot. Bonds

About 1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine

1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine (PubChem CID 130306321) has the molecular formula C13H19FN4 and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine
PubChem CID130306321
Molecular FormulaC13H19FN4
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC Name1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine
SMILES[H]/N=C(\N1[C@H](C)CCC[C@@H]1C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C13H19FN4/c1-9-4-3-5-10(2)18(9)13(16)17-8-11(14)6-7-12(17)15/h6-10,15-16H,3-5H2,1-2H3/b15-12+,16-13-/t9-,10+
InChIKeyLCBSTHJYXNMDDW-VKACSAMSSA-N
XLogP2.15
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine (CID 130306321) is 1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine is [H]/N=C(\N1[C@H](C)CCC[C@@H]1C)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine?
The InChIKey is LCBSTHJYXNMDDW-VKACSAMSSA-N. The full InChI is InChI=1S/C13H19FN4/c1-9-4-3-5-10(2)18(9)13(16)17-8-11(14)6-7-12(17)15/h6-10,15-16H,3-5H2,1-2H3/b15-12+,16-13-/t9-,10+.
What are the key properties of 1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine?
1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine has a molecular weight of 250.32 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylpiperidine-1-carboximidoyl]-5-fluoropyridin-2-imine is sourced from PubChem (CID 130306321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).