8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline

C24H23F5N2O — CID 25167726

IUPAC8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline
SMILESCC(OCC1(c2cc(F)cc(F)c2)CCNCC1)c1cc(C(F)(F)F)cc2cccnc12
InChIInChI=1S/C24H23F5N2O/c1-15(21-12-18(24(27,28)29)9-16-3-2-6-31-22(16)21)32-14-23(4-7-30-8-5-23)17-10-19(25)13-20(26)11-17/h2-3,6,9-13,15,30H,4-5,7-8,14H2,1H3
InChIKeyYMGFXSNLLLIJRS-UHFFFAOYSA-N
MW450.45 g/mol
LogP5.93
Rot. Bonds5

About 8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline

8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline (PubChem CID 25167726) has the molecular formula C24H23F5N2O and a molecular weight of 450.45 g/mol. Its IUPAC name is 8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline
PubChem CID25167726
Molecular FormulaC24H23F5N2O
Molecular Weight450.45 g/mol
Exact Mass450.17
IUPAC Name8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline
SMILESCC(OCC1(c2cc(F)cc(F)c2)CCNCC1)c1cc(C(F)(F)F)cc2cccnc12
InChIInChI=1S/C24H23F5N2O/c1-15(21-12-18(24(27,28)29)9-16-3-2-6-31-22(16)21)32-14-23(4-7-30-8-5-23)17-10-19(25)13-20(26)11-17/h2-3,6,9-13,15,30H,4-5,7-8,14H2,1H3
InChIKeyYMGFXSNLLLIJRS-UHFFFAOYSA-N
XLogP5.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.45
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(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

Related Compounds

7-[1-[[4-(4-fluorophenyl)piperidin-4-yl]methoxy]ethyl]-1-methyl-5-(trifluoromethyl)indazole
CID 25159922
7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole
CID 25159918
1-ethyl-4-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole;1-ethyl-4-[(1R)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)benzimidazole
CID 159061571
CID 89210398
CID 89210398
7-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-2-methyl-5-(trifluoromethyl)indazole
CID 25159787
2-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-phenylpiperidin-4-yl)methoxy]acetamide
CID 23204459
CID 89298820
CID 89298820
4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine
CID 57247335
1-N-ethenyl-1-N-ethyl-3-[(1S)-1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)benzene-1,2-diamine
CID 89210417
2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 58993510
4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine
CID 19960246
(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylazepane
CID 11654898

Frequently Asked Questions

What is the IUPAC name of 8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline?
The IUPAC name of 8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline (CID 25167726) is 8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline?
The canonical SMILES for 8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline is CC(OCC1(c2cc(F)cc(F)c2)CCNCC1)c1cc(C(F)(F)F)cc2cccnc12.
What is the InChIKey of 8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline?
The InChIKey is YMGFXSNLLLIJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F5N2O/c1-15(21-12-18(24(27,28)29)9-16-3-2-6-31-22(16)21)32-14-23(4-7-30-8-5-23)17-10-19(25)13-20(26)11-17/h2-3,6,9-13,15,30H,4-5,7-8,14H2,1H3.
What are the key properties of 8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline?
8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline has a molecular weight of 450.45 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[[4-(3,5-difluorophenyl)piperidin-4-yl]methoxy]ethyl]-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 25167726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).