2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine

C18H19F3N2O4S — CID 90566588

IUPAC2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine
SMILESCc1ccc(OC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cn1
InChIInChI=1S/C18H19F3N2O4S/c1-13-2-3-16(12-22-13)26-14-8-10-23(11-9-14)28(24,25)17-6-4-15(5-7-17)27-18(19,20)21/h2-7,12,14H,8-11H2,1H3
InChIKeyJWHMKSJLMLIROR-UHFFFAOYSA-N
MW416.42 g/mol
LogP3.52
Rot. Bonds5

About 2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine

2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine (PubChem CID 90566588) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine
PubChem CID90566588
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine
SMILESCc1ccc(OC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cn1
InChIInChI=1S/C18H19F3N2O4S/c1-13-2-3-16(12-22-13)26-14-8-10-23(11-9-14)28(24,25)17-6-4-15(5-7-17)27-18(19,20)21/h2-7,12,14H,8-11H2,1H3
InChIKeyJWHMKSJLMLIROR-UHFFFAOYSA-N
XLogP3.52
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 90566562
4-[(2-methylimidazol-1-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
CID 90494818
5-[1-[(6-ethoxy-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]oxy-2-methylpyridine
CID 129004923
5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine
CID 90566569
4,6-dimethyl-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122258159
1-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypentan-2-one
CID 58235378
6-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonyl-3H-2-benzofuran-1-one
CID 129339619
5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018022
1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-4-ium
CID 2079401
4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine
CID 118314272
[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
CID 62373102
(3S,4R)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 135089574

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine?
The IUPAC name of 2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine (CID 90566588) is 2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine.
What is the SMILES notation for 2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine?
The canonical SMILES for 2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine is Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)cn1.
What is the InChIKey of 2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine?
The InChIKey is JWHMKSJLMLIROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-13-2-3-16(12-22-13)26-14-8-10-23(11-9-14)28(24,25)17-6-4-15(5-7-17)27-18(19,20)21/h2-7,12,14H,8-11H2,1H3.
What are the key properties of 2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine?
2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine has a molecular weight of 416.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine is sourced from PubChem (CID 90566588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).