2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine

C23H30F2N2O — CID 141382294

IUPAC2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine
SMILESCCC(F)(CC)CN1CCC(COc2ccc(-c3cccc(F)c3)cn2)CC1
InChIInChI=1S/C23H30F2N2O/c1-3-23(25,4-2)17-27-12-10-18(11-13-27)16-28-22-9-8-20(15-26-22)19-6-5-7-21(24)14-19/h5-9,14-15,18H,3-4,10-13,16-17H2,1-2H3
InChIKeyQYQUBAWELTWDCQ-UHFFFAOYSA-N
MW388.50 g/mol
LogP5.51
Rot. Bonds8

About 2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine

2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine (PubChem CID 141382294) has the molecular formula C23H30F2N2O and a molecular weight of 388.50 g/mol. Its IUPAC name is 2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine.

Molecular Properties

Compound Name2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine
PubChem CID141382294
Molecular FormulaC23H30F2N2O
Molecular Weight388.50 g/mol
Exact Mass388.23
IUPAC Name2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine
SMILESCCC(F)(CC)CN1CCC(COc2ccc(-c3cccc(F)c3)cn2)CC1
InChIInChI=1S/C23H30F2N2O/c1-3-23(25,4-2)17-27-12-10-18(11-13-27)16-28-22-9-8-20(15-26-22)19-6-5-7-21(24)14-19/h5-9,14-15,18H,3-4,10-13,16-17H2,1-2H3
InChIKeyQYQUBAWELTWDCQ-UHFFFAOYSA-N
XLogP5.51
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine?
The IUPAC name of 2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine (CID 141382294) is 2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine.
What is the SMILES notation for 2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine?
The canonical SMILES for 2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine is CCC(F)(CC)CN1CCC(COc2ccc(-c3cccc(F)c3)cn2)CC1.
What is the InChIKey of 2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine?
The InChIKey is QYQUBAWELTWDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2O/c1-3-23(25,4-2)17-27-12-10-18(11-13-27)16-28-22-9-8-20(15-26-22)19-6-5-7-21(24)14-19/h5-9,14-15,18H,3-4,10-13,16-17H2,1-2H3.
What are the key properties of 2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine?
2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine has a molecular weight of 388.50 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine is sourced from PubChem (CID 141382294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).