1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C20H24F3NO2S — CID 51597205

IUPAC1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1cc([C@@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c(C)s1
InChIInChI=1S/C20H24F3NO2S/c1-13-10-17(14(2)27-13)18(25)12-24-8-6-19(26,7-9-24)15-4-3-5-16(11-15)20(21,22)23/h3-5,10-11,18,25-26H,6-9,12H2,1-2H3/t18-/m0/s1
InChIKeyBWPXATQUORDRHG-SFHVURJKSA-N
MW399.48 g/mol
LogP4.40
Rot. Bonds4

About 1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 51597205) has the molecular formula C20H24F3NO2S and a molecular weight of 399.48 g/mol. Its IUPAC name is 1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID51597205
Molecular FormulaC20H24F3NO2S
Molecular Weight399.48 g/mol
Exact Mass399.15
IUPAC Name1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1cc([C@@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c(C)s1
InChIInChI=1S/C20H24F3NO2S/c1-13-10-17(14(2)27-13)18(25)12-24-8-6-19(26,7-9-24)15-4-3-5-16(11-15)20(21,22)23/h3-5,10-11,18,25-26H,6-9,12H2,1-2H3/t18-/m0/s1
InChIKeyBWPXATQUORDRHG-SFHVURJKSA-N
XLogP4.40
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol with MolForge

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Related Compounds

1-[(2S)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51597203
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501534
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3784702
butane;2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 143404383
1-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501610
N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide
CID 171986071
1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 24815354
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol
CID 51503053
1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 56701286

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 51597205) is 1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is Cc1cc([C@@H](O)CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c(C)s1.
What is the InChIKey of 1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is BWPXATQUORDRHG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24F3NO2S/c1-13-10-17(14(2)27-13)18(25)12-24-8-6-19(26,7-9-24)15-4-3-5-16(11-15)20(21,22)23/h3-5,10-11,18,25-26H,6-9,12H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 399.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 51597205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).