4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol

C17H17F3N2O3S — CID 645330

IUPAC4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)13-3-1-5-15(11-13)26(24,25)22-9-6-16(23,7-10-22)14-4-2-8-21-12-14/h1-5,8,11-12,23H,6-7,9-10H2
InChIKeyRCOATEVJJUMFQT-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.77
Rot. Bonds3

About 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol

4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol (PubChem CID 645330) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
PubChem CID645330
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)13-3-1-5-15(11-13)26(24,25)22-9-6-16(23,7-10-22)14-4-2-8-21-12-14/h1-5,8,11-12,23H,6-7,9-10H2
InChIKeyRCOATEVJJUMFQT-UHFFFAOYSA-N
XLogP2.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-((R)-4-(2,2-difluoro-2-(pyridin-4-yl)ethyl)-2-methylpiperazin-1-ylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 11191097
1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-4-yl)cyclopropyl)methyl)piperazin-1-ylsulfonyl)phenyl)propan-2-ol
CID 11225445
1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-3-yl)cyclopropyl)methyl)piperazin-1-ylsulfonyl)phenyl)propan-2-ol
CID 11375115
1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-3-yl)cyclobutyl)methyl)piperazin-1-ylsulfonyl)phenyl)propan-2-ol
CID 11420598
1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-4-yl)cyclopentyl)methyl)piperazin-1-ylsulfonyl)phenyl)propan-2-ol
CID 44565131
1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-4-yl)cyclobutyl)methyl)piperazin-1-ylsulfonyl)phenyl)propan-2-ol
CID 44565130
1,1,1-trifluoro-2-(4-((R)-2-methyl-4-((1-(pyridin-3-yl)cyclopentyl)methyl)piperazin-1-ylsulfonyl)phenyl)propan-2-ol
CID 44565132
2-(4-((R)-4-(2,2-difluoro-2-(pyridin-3-yl)ethyl)-2-methylpiperazin-1-ylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 11329380
N-(2-methylpropyl)-N-[4-(1,1,1-trifluoro-2-hydroxy-4-pyridin-3-ylbut-3-yn-2-yl)phenyl]benzenesulfonamide
CID 22042611
1'-(Toluene-4-sulfonyl)-2',3',5',6'-tetrahydro-1'H-[3,4']bipyridinyl-4'-ol
CID 1446492
1'-(4-Chloro-benzenesulfonyl)-2',3',5',6'-tetrahydro-1'H-[3,4']bipyridinyl-4'-ol
CID 1446499
1,1,1-trifluoro-2-(4-((R)-2-methyl-4-(2-(pyridin-4-yl)ethyl)piperazin-1-ylsulfonyl)phenyl)propan-2-ol
CID 44564876

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol?
The IUPAC name of 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol (CID 645330) is 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol?
The canonical SMILES for 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(O)(c2cccnc2)CC1.
What is the InChIKey of 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol?
The InChIKey is RCOATEVJJUMFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c18-17(19,20)13-3-1-5-15(11-13)26(24,25)22-9-6-16(23,7-10-22)14-4-2-8-21-12-14/h1-5,8,11-12,23H,6-7,9-10H2.
What are the key properties of 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol?
4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol has a molecular weight of 386.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 645330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).