5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine

C18H22N2O3S — CID 59718519

IUPAC5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccc(COC3CCNCC3)nc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-24(21,22)18-6-3-14(4-7-18)15-2-5-16(20-12-15)13-23-17-8-10-19-11-9-17/h2-7,12,17,19H,8-11,13H2,1H3
InChIKeyZWDFPBSOIOWFPT-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.42
Rot. Bonds5

About 5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine

5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine (PubChem CID 59718519) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine
PubChem CID59718519
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccc(COC3CCNCC3)nc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-24(21,22)18-6-3-14(4-7-18)15-2-5-16(20-12-15)13-23-17-8-10-19-11-9-17/h2-7,12,17,19H,8-11,13H2,1H3
InChIKeyZWDFPBSOIOWFPT-UHFFFAOYSA-N
XLogP2.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine (CID 59718519) is 5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine is CS(=O)(=O)c1ccc(-c2ccc(COC3CCNCC3)nc2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine?
The InChIKey is ZWDFPBSOIOWFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-24(21,22)18-6-3-14(4-7-18)15-2-5-16(20-12-15)13-23-17-8-10-19-11-9-17/h2-7,12,17,19H,8-11,13H2,1H3.
What are the key properties of 5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine?
5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine has a molecular weight of 346.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-2-(piperidin-4-yloxymethyl)pyridine is sourced from PubChem (CID 59718519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).