2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine

C16H23FN2O3S — CID 172893200

IUPAC2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine
SMILESO=S(=O)(C1CCCCC1)N1CCC(Oc2cccc(F)n2)CC1
InChIInChI=1S/C16H23FN2O3S/c17-15-7-4-8-16(18-15)22-13-9-11-19(12-10-13)23(20,21)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2
InChIKeyDKZXHGALJOIJCT-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.73
Rot. Bonds4

About 2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine

2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine (PubChem CID 172893200) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine.

Molecular Properties

Compound Name2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine
PubChem CID172893200
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine
SMILESO=S(=O)(C1CCCCC1)N1CCC(Oc2cccc(F)n2)CC1
InChIInChI=1S/C16H23FN2O3S/c17-15-7-4-8-16(18-15)22-13-9-11-19(12-10-13)23(20,21)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2
InChIKeyDKZXHGALJOIJCT-UHFFFAOYSA-N
XLogP2.73
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.73
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-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine?
The IUPAC name of 2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine (CID 172893200) is 2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine.
What is the SMILES notation for 2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine?
The canonical SMILES for 2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine is O=S(=O)(C1CCCCC1)N1CCC(Oc2cccc(F)n2)CC1.
What is the InChIKey of 2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine?
The InChIKey is DKZXHGALJOIJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c17-15-7-4-8-16(18-15)22-13-9-11-19(12-10-13)23(20,21)14-5-2-1-3-6-14/h4,7-8,13-14H,1-3,5-6,9-12H2.
What are the key properties of 2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine?
2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine has a molecular weight of 342.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine is sourced from PubChem (CID 172893200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).