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

C20H21ClF3NO2 — CID 16677314

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC(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
InChIKeyWTWJMEWIEGPURL-UHFFFAOYSA-N
MW399.84 g/mol
LogP4.38
Rot. Bonds4

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

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 16677314) has the molecular formula C20H21ClF3NO2 and a molecular weight of 399.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID16677314
Molecular FormulaC20H21ClF3NO2
Molecular Weight399.84 g/mol
Exact Mass399.12
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC(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
InChIKeyWTWJMEWIEGPURL-UHFFFAOYSA-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

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Related Compounds

Penfluridol
CID 33630
Eliprodil
CID 60703
4-(4-Chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-1-piperidinebutanol
CID 119265
(+)-(S)-Eliprodil
CID 14622158
Dihydrohaloperidol, (S)-
CID 16048564
2-(4-Chlorophenyl)-3-phenyl-4-piperidin-1-ylbutan-2-ol;hydrochloride
CID 45489280
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol
CID 70685046
Eliprodil, (R)-
CID 9798372
1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 10020476
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-(2-fluoro-phenyl)-pentanenitrile
CID 10596333
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-pentafluorophenyl-pentanenitrile
CID 10647579
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-(4-fluoro-phenyl)-pentanenitrile
CID 10667913

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 16677314) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is OC(CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is WTWJMEWIEGPURL-UHFFFAOYSA-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.
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[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-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 16677314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).