2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine

C17H17F3N2O3S — CID 71798683

IUPAC2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)13-4-3-5-15(12-13)26(23,24)22-10-7-14(8-11-22)25-16-6-1-2-9-21-16/h1-6,9,12,14H,7-8,10-11H2
InChIKeyYIPFFOLVGREHMQ-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.33
Rot. Bonds4

About 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine

2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine (PubChem CID 71798683) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine
PubChem CID71798683
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)13-4-3-5-15(12-13)26(23,24)22-10-7-14(8-11-22)25-16-6-1-2-9-21-16/h1-6,9,12,14H,7-8,10-11H2
InChIKeyYIPFFOLVGREHMQ-UHFFFAOYSA-N
XLogP3.33
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine?
The IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine (CID 71798683) is 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(Oc2ccccn2)CC1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine?
The InChIKey is YIPFFOLVGREHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c18-17(19,20)13-4-3-5-15(12-13)26(23,24)22-10-7-14(8-11-22)25-16-6-1-2-9-21-16/h1-6,9,12,14H,7-8,10-11H2.
What are the key properties of 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine?
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine has a molecular weight of 386.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypyridine is sourced from PubChem (CID 71798683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).