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

C27H28F4N2O2 — CID 24799548

IUPAC2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccc(F)cc4)CCN(C)CC3)n2)cc1
InChIInChI=1S/C27H28F4N2O2/c1-33-13-11-26(12-14-33,20-5-7-22(28)8-6-20)18-35-17-23-15-21(27(29,30)31)16-25(32-23)19-3-9-24(34-2)10-4-19/h3-10,15-16H,11-14,17-18H2,1-2H3
InChIKeyIGQGPZKZOUIWTI-UHFFFAOYSA-N
MW488.53 g/mol
LogP6.10
Rot. Bonds7

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

2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine (PubChem CID 24799548) has the molecular formula C27H28F4N2O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine
PubChem CID24799548
Molecular FormulaC27H28F4N2O2
Molecular Weight488.53 g/mol
Exact Mass488.21
IUPAC Name2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccc(F)cc4)CCN(C)CC3)n2)cc1
InChIInChI=1S/C27H28F4N2O2/c1-33-13-11-26(12-14-33,20-5-7-22(28)8-6-20)18-35-17-23-15-21(27(29,30)31)16-25(32-23)19-3-9-24(34-2)10-4-19/h3-10,15-16H,11-14,17-18H2,1-2H3
InChIKeyIGQGPZKZOUIWTI-UHFFFAOYSA-N
XLogP6.10
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.53
LogP ≤ 56.10
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-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine (CID 24799548) is 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine is COc1ccc(-c2cc(C(F)(F)F)cc(COCC3(c4ccc(F)cc4)CCN(C)CC3)n2)cc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine?
The InChIKey is IGQGPZKZOUIWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F4N2O2/c1-33-13-11-26(12-14-33,20-5-7-22(28)8-6-20)18-35-17-23-15-21(27(29,30)31)16-25(32-23)19-3-9-24(34-2)10-4-19/h3-10,15-16H,11-14,17-18H2,1-2H3.
What are the key properties of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine?
2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine has a molecular weight of 488.53 g/mol, XLogP of 6.10, 7 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-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 24799548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).