2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine

C23H28F4N2O — CID 71541468

IUPAC2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC(C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1
InChIInChI=1S/C23H28F4N2O/c1-16(2)21-13-18(23(25,26)27)12-20(28-21)14-30-15-22(8-10-29(3)11-9-22)17-4-6-19(24)7-5-17/h4-7,12-13,16H,8-11,14-15H2,1-3H3
InChIKeyMYMSTILLVFBSHU-UHFFFAOYSA-N
MW424.48 g/mol
LogP5.54
Rot. Bonds6

About 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine

2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 71541468) has the molecular formula C23H28F4N2O and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID71541468
Molecular FormulaC23H28F4N2O
Molecular Weight424.48 g/mol
Exact Mass424.21
IUPAC Name2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC(C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1
InChIInChI=1S/C23H28F4N2O/c1-16(2)21-13-18(23(25,26)27)12-20(28-21)14-30-15-22(8-10-29(3)11-9-22)17-4-6-19(24)7-5-17/h4-7,12-13,16H,8-11,14-15H2,1-3H3
InChIKeyMYMSTILLVFBSHU-UHFFFAOYSA-N
XLogP5.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine 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 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine (CID 71541468) is 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine is CC(C)c1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is MYMSTILLVFBSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F4N2O/c1-16(2)21-13-18(23(25,26)27)12-20(28-21)14-30-15-22(8-10-29(3)11-9-22)17-4-6-19(24)7-5-17/h4-7,12-13,16H,8-11,14-15H2,1-3H3.
What are the key properties of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine?
2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 424.48 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 71541468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).