2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine

C27H27F5N2O2 — CID 24799549

IUPAC2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccc(F)cc4)CCN(C)CC3)n2)cc1F
InChIInChI=1S/C27H27F5N2O2/c1-34-11-9-26(10-12-34,19-4-6-21(28)7-5-19)17-36-16-22-14-20(27(30,31)32)15-24(33-22)18-3-8-25(35-2)23(29)13-18/h3-8,13-15H,9-12,16-17H2,1-2H3
InChIKeyKDLYGWAIXYZNFS-UHFFFAOYSA-N
MW506.52 g/mol
LogP6.23
Rot. Bonds7

About 2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine

2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (PubChem CID 24799549) has the molecular formula C27H27F5N2O2 and a molecular weight of 506.52 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
PubChem CID24799549
Molecular FormulaC27H27F5N2O2
Molecular Weight506.52 g/mol
Exact Mass506.20
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccc(F)cc4)CCN(C)CC3)n2)cc1F
InChIInChI=1S/C27H27F5N2O2/c1-34-11-9-26(10-12-34,19-4-6-21(28)7-5-19)17-36-16-22-14-20(27(30,31)32)15-24(33-22)18-3-8-25(35-2)23(29)13-18/h3-8,13-15H,9-12,16-17H2,1-2H3
InChIKeyKDLYGWAIXYZNFS-UHFFFAOYSA-N
XLogP6.23
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.52
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (CID 24799549) is 2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is COc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccc(F)cc4)CCN(C)CC3)n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is KDLYGWAIXYZNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F5N2O2/c1-34-11-9-26(10-12-34,19-4-6-21(28)7-5-19)17-36-16-22-14-20(27(30,31)32)15-24(33-22)18-3-8-25(35-2)23(29)13-18/h3-8,13-15H,9-12,16-17H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 506.52 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 24799549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).