8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline

C25H27F3N2O — CID 25168531

IUPAC8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline
SMILESCC(OCC1(c2ccccc2)CCN(C)CC1)c1cc(C(F)(F)F)cc2cccnc12
InChIInChI=1S/C25H27F3N2O/c1-18(22-16-21(25(26,27)28)15-19-7-6-12-29-23(19)22)31-17-24(10-13-30(2)14-11-24)20-8-4-3-5-9-20/h3-9,12,15-16,18H,10-11,13-14,17H2,1-2H3
InChIKeyHWAPIKGVAMPWIX-UHFFFAOYSA-N
MW428.50 g/mol
LogP5.99
Rot. Bonds5

About 8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline

8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline (PubChem CID 25168531) has the molecular formula C25H27F3N2O and a molecular weight of 428.50 g/mol. Its IUPAC name is 8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline
PubChem CID25168531
Molecular FormulaC25H27F3N2O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline
SMILESCC(OCC1(c2ccccc2)CCN(C)CC1)c1cc(C(F)(F)F)cc2cccnc12
InChIInChI=1S/C25H27F3N2O/c1-18(22-16-21(25(26,27)28)15-19-7-6-12-29-23(19)22)31-17-24(10-13-30(2)14-11-24)20-8-4-3-5-9-20/h3-9,12,15-16,18H,10-11,13-14,17H2,1-2H3
InChIKeyHWAPIKGVAMPWIX-UHFFFAOYSA-N
XLogP5.99
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[1-[(1-methyl-4-phenylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of 8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline?
The IUPAC name of 8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline (CID 25168531) is 8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline?
The canonical SMILES for 8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline is CC(OCC1(c2ccccc2)CCN(C)CC1)c1cc(C(F)(F)F)cc2cccnc12.
What is the InChIKey of 8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline?
The InChIKey is HWAPIKGVAMPWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O/c1-18(22-16-21(25(26,27)28)15-19-7-6-12-29-23(19)22)31-17-24(10-13-30(2)14-11-24)20-8-4-3-5-9-20/h3-9,12,15-16,18H,10-11,13-14,17H2,1-2H3.
What are the key properties of 8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline?
8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline has a molecular weight of 428.50 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 25168531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).