2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine

C12H15F3N2O3S — CID 71798789

IUPAC2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H15F3N2O3S/c1-21(18,19)17-6-4-10(5-7-17)20-11-3-2-9(8-16-11)12(13,14)15/h2-3,8,10H,4-7H2,1H3
InChIKeyPQCRZNVGKKUWJE-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.90
Rot. Bonds3

About 2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine

2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine (PubChem CID 71798789) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine
PubChem CID71798789
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H15F3N2O3S/c1-21(18,19)17-6-4-10(5-7-17)20-11-3-2-9(8-16-11)12(13,14)15/h2-3,8,10H,4-7H2,1H3
InChIKeyPQCRZNVGKKUWJE-UHFFFAOYSA-N
XLogP1.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine (CID 71798789) is 2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine is CS(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine?
The InChIKey is PQCRZNVGKKUWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-21(18,19)17-6-4-10(5-7-17)20-11-3-2-9(8-16-11)12(13,14)15/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine?
2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine has a molecular weight of 324.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-4-yl)oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 71798789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).