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

C20H22F4N2O — CID 71541376

IUPAC2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)ccn2)(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22F4N2O/c1-26-10-7-19(8-11-26,15-2-4-17(21)5-3-15)14-27-13-18-12-16(6-9-25-18)20(22,23)24/h2-6,9,12H,7-8,10-11,13-14H2,1H3
InChIKeySIPOLHQPOKEDPH-UHFFFAOYSA-N
MW382.40 g/mol
LogP4.42
Rot. Bonds5

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

2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (PubChem CID 71541376) has the molecular formula C20H22F4N2O and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
PubChem CID71541376
Molecular FormulaC20H22F4N2O
Molecular Weight382.40 g/mol
Exact Mass382.17
IUPAC Name2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)ccn2)(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22F4N2O/c1-26-10-7-19(8-11-26,15-2-4-17(21)5-3-15)14-27-13-18-12-16(6-9-25-18)20(22,23)24/h2-6,9,12H,7-8,10-11,13-14H2,1H3
InChIKeySIPOLHQPOKEDPH-UHFFFAOYSA-N
XLogP4.42
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 54.42
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]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (CID 71541376) is 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is CN1CCC(COCc2cc(C(F)(F)F)ccn2)(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is SIPOLHQPOKEDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N2O/c1-26-10-7-19(8-11-26,15-2-4-17(21)5-3-15)14-27-13-18-12-16(6-9-25-18)20(22,23)24/h2-6,9,12H,7-8,10-11,13-14H2,1H3.
What are the key properties of 2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 382.40 g/mol, XLogP of 4.42, 5 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]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 71541376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).