1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol

C23H23F3N2O — CID 90669054

IUPAC1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESOC(CC1CCCCN1)c1cc(-c2ccccc2)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C23H23F3N2O/c24-23(25,26)19-11-6-10-17-18(21(29)13-16-9-4-5-12-27-16)14-20(28-22(17)19)15-7-2-1-3-8-15/h1-3,6-8,10-11,14,16,21,27,29H,4-5,9,12-13H2
InChIKeyZJTKQLQPEGHTAA-UHFFFAOYSA-N
MW400.44 g/mol
LogP5.49
Rot. Bonds4

About 1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol

1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol (PubChem CID 90669054) has the molecular formula C23H23F3N2O and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
PubChem CID90669054
Molecular FormulaC23H23F3N2O
Molecular Weight400.44 g/mol
Exact Mass400.18
IUPAC Name1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESOC(CC1CCCCN1)c1cc(-c2ccccc2)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C23H23F3N2O/c24-23(25,26)19-11-6-10-17-18(21(29)13-16-9-4-5-12-27-16)14-20(28-22(17)19)15-7-2-1-3-8-15/h1-3,6-8,10-11,14,16,21,27,29H,4-5,9,12-13H2
InChIKeyZJTKQLQPEGHTAA-UHFFFAOYSA-N
XLogP5.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The IUPAC name of 1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol (CID 90669054) is 1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The canonical SMILES for 1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol is OC(CC1CCCCN1)c1cc(-c2ccccc2)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The InChIKey is ZJTKQLQPEGHTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O/c24-23(25,26)19-11-6-10-17-18(21(29)13-16-9-4-5-12-27-16)14-20(28-22(17)19)15-7-2-1-3-8-15/h1-3,6-8,10-11,14,16,21,27,29H,4-5,9,12-13H2.
What are the key properties of 1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol has a molecular weight of 400.44 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenyl-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol is sourced from PubChem (CID 90669054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).