3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine

C18H19F3N2O2S — CID 54062592

IUPAC3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2c(C(F)(F)F)ccnc2N2CCCCC2)cc1
InChIInChI=1S/C18H19F3N2O2S/c1-26(24,25)14-7-5-13(6-8-14)16-15(18(19,20)21)9-10-22-17(16)23-11-3-2-4-12-23/h5-10H,2-4,11-12H2,1H3
InChIKeyMAUAIUMJPCSAHI-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.16
Rot. Bonds3

About 3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine

3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine (PubChem CID 54062592) has the molecular formula C18H19F3N2O2S and a molecular weight of 384.42 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine
PubChem CID54062592
Molecular FormulaC18H19F3N2O2S
Molecular Weight384.42 g/mol
Exact Mass384.11
IUPAC Name3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine
SMILESCS(=O)(=O)c1ccc(-c2c(C(F)(F)F)ccnc2N2CCCCC2)cc1
InChIInChI=1S/C18H19F3N2O2S/c1-26(24,25)14-7-5-13(6-8-14)16-15(18(19,20)21)9-10-22-17(16)23-11-3-2-4-12-23/h5-10H,2-4,11-12H2,1H3
InChIKeyMAUAIUMJPCSAHI-UHFFFAOYSA-N
XLogP4.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)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 3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine (CID 54062592) is 3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine is CS(=O)(=O)c1ccc(-c2c(C(F)(F)F)ccnc2N2CCCCC2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine?
The InChIKey is MAUAIUMJPCSAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2S/c1-26(24,25)14-7-5-13(6-8-14)16-15(18(19,20)21)9-10-22-17(16)23-11-3-2-4-12-23/h5-10H,2-4,11-12H2,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine?
3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine has a molecular weight of 384.42 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-2-piperidin-1-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 54062592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).