2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine

C16H24FN3O2S — CID 118308429

IUPAC2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cccnc3F)CC2)CC1
InChIInChI=1S/C16H24FN3O2S/c1-13-4-9-19(10-5-13)14-6-11-20(12-7-14)23(21,22)15-3-2-8-18-16(15)17/h2-3,8,13-14H,4-7,9-12H2,1H3
InChIKeyCXBYIQUJGQETTH-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.11
Rot. Bonds3

About 2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine

2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine (PubChem CID 118308429) has the molecular formula C16H24FN3O2S and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine
PubChem CID118308429
Molecular FormulaC16H24FN3O2S
Molecular Weight341.45 g/mol
Exact Mass341.16
IUPAC Name2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cccnc3F)CC2)CC1
InChIInChI=1S/C16H24FN3O2S/c1-13-4-9-19(10-5-13)14-6-11-20(12-7-14)23(21,22)15-3-2-8-18-16(15)17/h2-3,8,13-14H,4-7,9-12H2,1H3
InChIKeyCXBYIQUJGQETTH-UHFFFAOYSA-N
XLogP2.11
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine (CID 118308429) is 2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine is CC1CCN(C2CCN(S(=O)(=O)c3cccnc3F)CC2)CC1.
What is the InChIKey of 2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine?
The InChIKey is CXBYIQUJGQETTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2S/c1-13-4-9-19(10-5-13)14-6-11-20(12-7-14)23(21,22)15-3-2-8-18-16(15)17/h2-3,8,13-14H,4-7,9-12H2,1H3.
What are the key properties of 2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine?
2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine has a molecular weight of 341.45 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 118308429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).