1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C23H23F3N2O — CID 18675874

IUPAC1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(CCc2ccc3ncccc3c2)CC1
InChIInChI=1S/C23H23F3N2O/c24-23(25,26)20-5-1-4-19(16-20)22(29)9-13-28(14-10-22)12-8-17-6-7-21-18(15-17)3-2-11-27-21/h1-7,11,15-16,29H,8-10,12-14H2
InChIKeyRJOWZTVCMDBSNU-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.78
Rot. Bonds4

About 1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 18675874) has the molecular formula C23H23F3N2O and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID18675874
Molecular FormulaC23H23F3N2O
Molecular Weight400.44 g/mol
Exact Mass400.18
IUPAC Name1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(CCc2ccc3ncccc3c2)CC1
InChIInChI=1S/C23H23F3N2O/c24-23(25,26)20-5-1-4-19(16-20)22(29)9-13-28(14-10-22)12-8-17-6-7-21-18(15-17)3-2-11-27-21/h1-7,11,15-16,29H,8-10,12-14H2
InChIKeyRJOWZTVCMDBSNU-UHFFFAOYSA-N
XLogP4.78
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 18675874) is 1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is OC1(c2cccc(C(F)(F)F)c2)CCN(CCc2ccc3ncccc3c2)CC1.
What is the InChIKey of 1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is RJOWZTVCMDBSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O/c24-23(25,26)20-5-1-4-19(16-20)22(29)9-13-28(14-10-22)12-8-17-6-7-21-18(15-17)3-2-11-27-21/h1-7,11,15-16,29H,8-10,12-14H2.
What are the key properties of 1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 400.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-quinolin-6-ylethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 18675874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).