3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine

C23H27F3N2O3S — CID 172795173

IUPAC3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cccnc2OCC2CCN(CC3(C(F)(F)F)CC3)CC2)cc1
InChIInChI=1S/C23H27F3N2O3S/c1-32(29,30)19-6-4-18(5-7-19)20-3-2-12-27-21(20)31-15-17-8-13-28(14-9-17)16-22(10-11-22)23(24,25)26/h2-7,12,17H,8-11,13-16H2,1H3
InChIKeyQCIYGFFRHYXTNP-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.59
Rot. Bonds7

About 3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine

3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine (PubChem CID 172795173) has the molecular formula C23H27F3N2O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine
PubChem CID172795173
Molecular FormulaC23H27F3N2O3S
Molecular Weight468.54 g/mol
Exact Mass468.17
IUPAC Name3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cccnc2OCC2CCN(CC3(C(F)(F)F)CC3)CC2)cc1
InChIInChI=1S/C23H27F3N2O3S/c1-32(29,30)19-6-4-18(5-7-19)20-3-2-12-27-21(20)31-15-17-8-13-28(14-9-17)16-22(10-11-22)23(24,25)26/h2-7,12,17H,8-11,13-16H2,1H3
InChIKeyQCIYGFFRHYXTNP-UHFFFAOYSA-N
XLogP4.59
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]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-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine?
The IUPAC name of 3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine (CID 172795173) is 3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine is CS(=O)(=O)c1ccc(-c2cccnc2OCC2CCN(CC3(C(F)(F)F)CC3)CC2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine?
The InChIKey is QCIYGFFRHYXTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O3S/c1-32(29,30)19-6-4-18(5-7-19)20-3-2-12-27-21(20)31-15-17-8-13-28(14-9-17)16-22(10-11-22)23(24,25)26/h2-7,12,17H,8-11,13-16H2,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine?
3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine has a molecular weight of 468.54 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-2-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]methoxy]pyridine is sourced from PubChem (CID 172795173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).