1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C20H21ClF3NO2 — CID 51501534

IUPAC1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESO[C@@H](CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClF3NO2/c21-17-6-4-14(5-7-17)18(26)13-25-10-8-19(27,9-11-25)15-2-1-3-16(12-15)20(22,23)24/h1-7,12,18,26-27H,8-11,13H2/t18-/m0/s1
InChIKeyWTWJMEWIEGPURL-SFHVURJKSA-N
MW399.84 g/mol
LogP4.38
Rot. Bonds4

About 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 51501534) has the molecular formula C20H21ClF3NO2 and a molecular weight of 399.84 g/mol. Its IUPAC name is 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID51501534
Molecular FormulaC20H21ClF3NO2
Molecular Weight399.84 g/mol
Exact Mass399.12
IUPAC Name1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESO[C@@H](CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClF3NO2/c21-17-6-4-14(5-7-17)18(26)13-25-10-8-19(27,9-11-25)15-2-1-3-16(12-15)20(22,23)24/h1-7,12,18,26-27H,8-11,13H2/t18-/m0/s1
InChIKeyWTWJMEWIEGPURL-SFHVURJKSA-N
XLogP4.38
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol with MolForge

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Related Compounds

1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501544
4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 18552686
4-(4-chlorophenyl)-1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-ol
CID 849886
1-[(2R)-2-(2,5-dimethylthiophen-3-yl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51597205
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501506
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol
CID 51503053
1-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 51501610
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3784702
1-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol
CID 51501390
1-(4-chloro-2-methylphenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
CID 20560278

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 51501534) is 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is O[C@@H](CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is WTWJMEWIEGPURL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21ClF3NO2/c21-17-6-4-14(5-7-17)18(26)13-25-10-8-19(27,9-11-25)15-2-1-3-16(12-15)20(22,23)24/h1-7,12,18,26-27H,8-11,13H2/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 399.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 51501534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).