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

C24H27F6N3O — CID 24800056

IUPAC2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(N3CCC(F)(F)C3)n2)(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H27F6N3O/c1-32-9-6-22(7-10-32,17-2-4-19(25)5-3-17)16-34-14-20-12-18(24(28,29)30)13-21(31-20)33-11-8-23(26,27)15-33/h2-5,12-13H,6-11,14-16H2,1H3
InChIKeyQPHISESLDMXRSN-UHFFFAOYSA-N
MW487.49 g/mol
LogP5.27
Rot. Bonds6

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

2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (PubChem CID 24800056) has the molecular formula C24H27F6N3O and a molecular weight of 487.49 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
PubChem CID24800056
Molecular FormulaC24H27F6N3O
Molecular Weight487.49 g/mol
Exact Mass487.21
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(N3CCC(F)(F)C3)n2)(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H27F6N3O/c1-32-9-6-22(7-10-32,17-2-4-19(25)5-3-17)16-34-14-20-12-18(24(28,29)30)13-21(31-20)33-11-8-23(26,27)15-33/h2-5,12-13H,6-11,14-16H2,1H3
InChIKeyQPHISESLDMXRSN-UHFFFAOYSA-N
XLogP5.27
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.49
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (CID 24800056) is 2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is CN1CCC(COCc2cc(C(F)(F)F)cc(N3CCC(F)(F)C3)n2)(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is QPHISESLDMXRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F6N3O/c1-32-9-6-22(7-10-32,17-2-4-19(25)5-3-17)16-34-14-20-12-18(24(28,29)30)13-21(31-20)33-11-8-23(26,27)15-33/h2-5,12-13H,6-11,14-16H2,1H3.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 487.49 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 24800056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).