4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline

C22H20F4N2O — CID 58948367

IUPAC4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline
SMILESFC(c1ccccc1)N1CCC(Oc2ccnc3c(C(F)(F)F)cccc23)CC1
InChIInChI=1S/C22H20F4N2O/c23-21(15-5-2-1-3-6-15)28-13-10-16(11-14-28)29-19-9-12-27-20-17(19)7-4-8-18(20)22(24,25)26/h1-9,12,16,21H,10-11,13-14H2
InChIKeyZPHMRKHDVQTCAB-UHFFFAOYSA-N
MW404.41 g/mol
LogP5.77
Rot. Bonds4

About 4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline

4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline (PubChem CID 58948367) has the molecular formula C22H20F4N2O and a molecular weight of 404.41 g/mol. Its IUPAC name is 4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline
PubChem CID58948367
Molecular FormulaC22H20F4N2O
Molecular Weight404.41 g/mol
Exact Mass404.15
IUPAC Name4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline
SMILESFC(c1ccccc1)N1CCC(Oc2ccnc3c(C(F)(F)F)cccc23)CC1
InChIInChI=1S/C22H20F4N2O/c23-21(15-5-2-1-3-6-15)28-13-10-16(11-14-28)29-19-9-12-27-20-17(19)7-4-8-18(20)22(24,25)26/h1-9,12,16,21H,10-11,13-14H2
InChIKeyZPHMRKHDVQTCAB-UHFFFAOYSA-N
XLogP5.77
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 ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline (CID 58948367) is 4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline is FC(c1ccccc1)N1CCC(Oc2ccnc3c(C(F)(F)F)cccc23)CC1.
What is the InChIKey of 4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline?
The InChIKey is ZPHMRKHDVQTCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N2O/c23-21(15-5-2-1-3-6-15)28-13-10-16(11-14-28)29-19-9-12-27-20-17(19)7-4-8-18(20)22(24,25)26/h1-9,12,16,21H,10-11,13-14H2.
What are the key properties of 4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline?
4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline has a molecular weight of 404.41 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[fluoro(phenyl)methyl]piperidin-4-yl]oxy-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 58948367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).