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

C24H28F4N2O — CID 71541471

IUPAC2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine
SMILESCC(C)=Cc1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1
InChIInChI=1S/C24H28F4N2O/c1-17(2)12-21-13-19(24(26,27)28)14-22(29-21)15-31-16-23(8-10-30(3)11-9-23)18-4-6-20(25)7-5-18/h4-7,12-14H,8-11,15-16H2,1-3H3
InChIKeyKIMCCCOLDQMMTA-UHFFFAOYSA-N
MW436.49 g/mol
LogP5.84
Rot. Bonds6

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

2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine (PubChem CID 71541471) has the molecular formula C24H28F4N2O and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine
PubChem CID71541471
Molecular FormulaC24H28F4N2O
Molecular Weight436.49 g/mol
Exact Mass436.21
IUPAC Name2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine
SMILESCC(C)=Cc1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1
InChIInChI=1S/C24H28F4N2O/c1-17(2)12-21-13-19(24(26,27)28)14-22(29-21)15-31-16-23(8-10-30(3)11-9-23)18-4-6-20(25)7-5-18/h4-7,12-14H,8-11,15-16H2,1-3H3
InChIKeyKIMCCCOLDQMMTA-UHFFFAOYSA-N
XLogP5.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine (CID 71541471) is 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine is CC(C)=Cc1cc(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-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine?
The InChIKey is KIMCCCOLDQMMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N2O/c1-17(2)12-21-13-19(24(26,27)28)14-22(29-21)15-31-16-23(8-10-30(3)11-9-23)18-4-6-20(25)7-5-18/h4-7,12-14H,8-11,15-16H2,1-3H3.
What are the key properties of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine?
2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine has a molecular weight of 436.49 g/mol, XLogP of 5.84, 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-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 71541471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).