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

C21H24F4N2O2 — CID 24799711

IUPAC2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methoxy-4-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1
InChIInChI=1S/C21H24F4N2O2/c1-27-9-7-20(8-10-27,15-3-5-17(22)6-4-15)14-29-13-18-11-16(21(23,24)25)12-19(26-18)28-2/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeyIGNGDXXVFAEFPS-UHFFFAOYSA-N
MW412.43 g/mol
LogP4.43
Rot. Bonds6

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

2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methoxy-4-(trifluoromethyl)pyridine (PubChem CID 24799711) has the molecular formula C21H24F4N2O2 and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methoxy-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methoxy-4-(trifluoromethyl)pyridine
PubChem CID24799711
Molecular FormulaC21H24F4N2O2
Molecular Weight412.43 g/mol
Exact Mass412.18
IUPAC Name2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methoxy-4-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)(F)F)cc(COCC2(c3ccc(F)cc3)CCN(C)CC2)n1
InChIInChI=1S/C21H24F4N2O2/c1-27-9-7-20(8-10-27,15-3-5-17(22)6-4-15)14-29-13-18-11-16(21(23,24)25)12-19(26-18)28-2/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKeyIGNGDXXVFAEFPS-UHFFFAOYSA-N
XLogP4.43
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methoxy-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methoxy-4-(trifluoromethyl)pyridine (CID 24799711) is 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methoxy-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methoxy-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methoxy-4-(trifluoromethyl)pyridine is COc1cc(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-methoxy-4-(trifluoromethyl)pyridine?
The InChIKey is IGNGDXXVFAEFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F4N2O2/c1-27-9-7-20(8-10-27,15-3-5-17(22)6-4-15)14-29-13-18-11-16(21(23,24)25)12-19(26-18)28-2/h3-6,11-12H,7-10,13-14H2,1-2H3.
What are the key properties of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methoxy-4-(trifluoromethyl)pyridine?
2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methoxy-4-(trifluoromethyl)pyridine has a molecular weight of 412.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-methoxy-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 24799711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).