5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine

C22H29FN2O3S — CID 72699749

IUPAC5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine
SMILESCC(C)(F)CN1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)CC1
InChIInChI=1S/C22H29FN2O3S/c1-22(2,23)16-25-12-10-17(11-13-25)15-28-19-6-9-21(24-14-19)18-4-7-20(8-5-18)29(3,26)27/h4-9,14,17H,10-13,15-16H2,1-3H3
InChIKeyUHTRBRNOIPHVLD-UHFFFAOYSA-N
MW420.55 g/mol
LogP3.99
Rot. Bonds7

About 5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine

5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine (PubChem CID 72699749) has the molecular formula C22H29FN2O3S and a molecular weight of 420.55 g/mol. Its IUPAC name is 5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine.

Molecular Properties

Compound Name5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine
PubChem CID72699749
Molecular FormulaC22H29FN2O3S
Molecular Weight420.55 g/mol
Exact Mass420.19
IUPAC Name5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine
SMILESCC(C)(F)CN1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)CC1
InChIInChI=1S/C22H29FN2O3S/c1-22(2,23)16-25-12-10-17(11-13-25)15-28-19-6-9-21(24-14-19)18-4-7-20(8-5-18)29(3,26)27/h4-9,14,17H,10-13,15-16H2,1-3H3
InChIKeyUHTRBRNOIPHVLD-UHFFFAOYSA-N
XLogP3.99
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine?
The IUPAC name of 5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine (CID 72699749) is 5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine.
What is the SMILES notation for 5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine?
The canonical SMILES for 5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine is CC(C)(F)CN1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc2)CC1.
What is the InChIKey of 5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine?
The InChIKey is UHTRBRNOIPHVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3S/c1-22(2,23)16-25-12-10-17(11-13-25)15-28-19-6-9-21(24-14-19)18-4-7-20(8-5-18)29(3,26)27/h4-9,14,17H,10-13,15-16H2,1-3H3.
What are the key properties of 5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine?
5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine has a molecular weight of 420.55 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]-2-(4-methylsulfonylphenyl)pyridine is sourced from PubChem (CID 72699749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).