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

C24H25F3N2O — CID 90669042

IUPAC1-[2-(4-methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESCc1ccc(-c2cc(C(O)CC3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1
InChIInChI=1S/C24H25F3N2O/c1-15-8-10-16(11-9-15)21-14-19(22(30)13-17-5-2-3-12-28-17)18-6-4-7-20(23(18)29-21)24(25,26)27/h4,6-11,14,17,22,28,30H,2-3,5,12-13H2,1H3
InChIKeyBBRUOXSEHMIAPY-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.79
Rot. Bonds4

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

1-[2-(4-methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol (PubChem CID 90669042) has the molecular formula C24H25F3N2O and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
PubChem CID90669042
Molecular FormulaC24H25F3N2O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name1-[2-(4-methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESCc1ccc(-c2cc(C(O)CC3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1
InChIInChI=1S/C24H25F3N2O/c1-15-8-10-16(11-9-15)21-14-19(22(30)13-17-5-2-3-12-28-17)18-6-4-7-20(23(18)29-21)24(25,26)27/h4,6-11,14,17,22,28,30H,2-3,5,12-13H2,1H3
InChIKeyBBRUOXSEHMIAPY-UHFFFAOYSA-N
XLogP5.79
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The IUPAC name of 1-[2-(4-methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol (CID 90669042) is 1-[2-(4-methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-[2-(4-methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The canonical SMILES for 1-[2-(4-methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol is Cc1ccc(-c2cc(C(O)CC3CCCCN3)c3cccc(C(F)(F)F)c3n2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
The InChIKey is BBRUOXSEHMIAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O/c1-15-8-10-16(11-9-15)21-14-19(22(30)13-17-5-2-3-12-28-17)18-6-4-7-20(23(18)29-21)24(25,26)27/h4,6-11,14,17,22,28,30H,2-3,5,12-13H2,1H3.
What are the key properties of 1-[2-(4-methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol?
1-[2-(4-methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol has a molecular weight of 414.47 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)-8-(trifluoromethyl)quinolin-4-yl]-2-piperidin-2-ylethanol is sourced from PubChem (CID 90669042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).