2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine

C24H27F4N3O — CID 24799187

IUPAC2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(N3CC=CC3)n2)(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H27F4N3O/c1-30-12-8-23(9-13-30,18-4-6-20(25)7-5-18)17-32-16-21-14-19(24(26,27)28)15-22(29-21)31-10-2-3-11-31/h2-7,14-15H,8-13,16-17H2,1H3
InChIKeyQXVKDIRFPUDMDU-UHFFFAOYSA-N
MW449.49 g/mol
LogP4.80
Rot. Bonds6

About 2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine

2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (PubChem CID 24799187) has the molecular formula C24H27F4N3O and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
PubChem CID24799187
Molecular FormulaC24H27F4N3O
Molecular Weight449.49 g/mol
Exact Mass449.21
IUPAC Name2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(N3CC=CC3)n2)(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H27F4N3O/c1-30-12-8-23(9-13-30,18-4-6-20(25)7-5-18)17-32-16-21-14-19(24(26,27)28)15-22(29-21)31-10-2-3-11-31/h2-7,14-15H,8-13,16-17H2,1H3
InChIKeyQXVKDIRFPUDMDU-UHFFFAOYSA-N
XLogP4.80
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (CID 24799187) is 2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is CN1CCC(COCc2cc(C(F)(F)F)cc(N3CC=CC3)n2)(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is QXVKDIRFPUDMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4N3O/c1-30-12-8-23(9-13-30,18-4-6-20(25)7-5-18)17-32-16-21-14-19(24(26,27)28)15-22(29-21)31-10-2-3-11-31/h2-7,14-15H,8-13,16-17H2,1H3.
What are the key properties of 2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 449.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 24799187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).