4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline

C22H20F4N2O — CID 2823567

IUPAC4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline
SMILESFc1cccc2c(OC3CCN(Cc4ccccc4)CC3)cc(C(F)(F)F)nc12
InChIInChI=1S/C22H20F4N2O/c23-18-8-4-7-17-19(13-20(22(24,25)26)27-21(17)18)29-16-9-11-28(12-10-16)14-15-5-2-1-3-6-15/h1-8,13,16H,9-12,14H2
InChIKeyFGVCZDMXRMEDTD-UHFFFAOYSA-N
MW404.41 g/mol
LogP5.44
Rot. Bonds4

About 4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline

4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline (PubChem CID 2823567) has the molecular formula C22H20F4N2O and a molecular weight of 404.41 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline
PubChem CID2823567
Molecular FormulaC22H20F4N2O
Molecular Weight404.41 g/mol
Exact Mass404.15
IUPAC Name4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline
SMILESFc1cccc2c(OC3CCN(Cc4ccccc4)CC3)cc(C(F)(F)F)nc12
InChIInChI=1S/C22H20F4N2O/c23-18-8-4-7-17-19(13-20(22(24,25)26)27-21(17)18)29-16-9-11-28(12-10-16)14-15-5-2-1-3-6-15/h1-8,13,16H,9-12,14H2
InChIKeyFGVCZDMXRMEDTD-UHFFFAOYSA-N
XLogP5.44
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.41
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline (CID 2823567) is 4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline is Fc1cccc2c(OC3CCN(Cc4ccccc4)CC3)cc(C(F)(F)F)nc12.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline?
The InChIKey is FGVCZDMXRMEDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N2O/c23-18-8-4-7-17-19(13-20(22(24,25)26)27-21(17)18)29-16-9-11-28(12-10-16)14-15-5-2-1-3-6-15/h1-8,13,16H,9-12,14H2.
What are the key properties of 4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline?
4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline has a molecular weight of 404.41 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 2823567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).