8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline

C25H26F4N2O — CID 25168130

IUPAC8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1ccc(C(F)(F)F)c2cccnc12
InChIInChI=1S/C25H26F4N2O/c1-17(20-9-10-22(25(27,28)29)21-4-3-13-30-23(20)21)32-16-24(11-14-31(2)15-12-24)18-5-7-19(26)8-6-18/h3-10,13,17H,11-12,14-16H2,1-2H3
InChIKeyDCYJDADSKPPKLD-UHFFFAOYSA-N
MW446.49 g/mol
LogP6.13
Rot. Bonds5

About 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline

8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline (PubChem CID 25168130) has the molecular formula C25H26F4N2O and a molecular weight of 446.49 g/mol. Its IUPAC name is 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline
PubChem CID25168130
Molecular FormulaC25H26F4N2O
Molecular Weight446.49 g/mol
Exact Mass446.20
IUPAC Name8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1ccc(C(F)(F)F)c2cccnc12
InChIInChI=1S/C25H26F4N2O/c1-17(20-9-10-22(25(27,28)29)21-4-3-13-30-23(20)21)32-16-24(11-14-31(2)15-12-24)18-5-7-19(26)8-6-18/h3-10,13,17H,11-12,14-16H2,1-2H3
InChIKeyDCYJDADSKPPKLD-UHFFFAOYSA-N
XLogP6.13
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.49
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline?
The IUPAC name of 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline (CID 25168130) is 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline?
The canonical SMILES for 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline is CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1ccc(C(F)(F)F)c2cccnc12.
What is the InChIKey of 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline?
The InChIKey is DCYJDADSKPPKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N2O/c1-17(20-9-10-22(25(27,28)29)21-4-3-13-30-23(20)21)32-16-24(11-14-31(2)15-12-24)18-5-7-19(26)8-6-18/h3-10,13,17H,11-12,14-16H2,1-2H3.
What are the key properties of 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline?
8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline has a molecular weight of 446.49 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-5-(trifluoromethyl)quinoline is sourced from PubChem (CID 25168130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).