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

C23H26F4N2O — CID 24800231

IUPAC2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H26F4N2O/c1-29-10-8-22(9-11-29,17-4-6-19(24)7-5-17)15-30-14-20-12-18(23(25,26)27)13-21(28-20)16-2-3-16/h4-7,12-13,16H,2-3,8-11,14-15H2,1H3
InChIKeyIATCLJLCYDIURR-UHFFFAOYSA-N
MW422.47 g/mol
LogP5.30
Rot. Bonds6

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

2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (PubChem CID 24800231) has the molecular formula C23H26F4N2O and a molecular weight of 422.47 g/mol. Its IUPAC name is 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
PubChem CID24800231
Molecular FormulaC23H26F4N2O
Molecular Weight422.47 g/mol
Exact Mass422.20
IUPAC Name2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
SMILESCN1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H26F4N2O/c1-29-10-8-22(9-11-29,17-4-6-19(24)7-5-17)15-30-14-20-12-18(23(25,26)27)13-21(28-20)16-2-3-16/h4-7,12-13,16H,2-3,8-11,14-15H2,1H3
InChIKeyIATCLJLCYDIURR-UHFFFAOYSA-N
XLogP5.30
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.47
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine (CID 24800231) is 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is CN1CCC(COCc2cc(C(F)(F)F)cc(C3CC3)n2)(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is IATCLJLCYDIURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4N2O/c1-29-10-8-22(9-11-29,17-4-6-19(24)7-5-17)15-30-14-20-12-18(23(25,26)27)13-21(28-20)16-2-3-16/h4-7,12-13,16H,2-3,8-11,14-15H2,1H3.
What are the key properties of 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine?
2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 422.47 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 24800231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).