2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine

C18H20F2N2O2 — CID 68594766

IUPAC2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESCc1ccc(OC[C@H]2CCCNC2)c(Oc2c(F)cccc2F)n1
InChIInChI=1S/C18H20F2N2O2/c1-12-7-8-16(23-11-13-4-3-9-21-10-13)18(22-12)24-17-14(19)5-2-6-15(17)20/h2,5-8,13,21H,3-4,9-11H2,1H3/t13-/m0/s1
InChIKeyQMIKHMWDBGDESU-ZDUSSCGKSA-N
MW334.37 g/mol
LogP3.84
Rot. Bonds5

About 2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine

2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (PubChem CID 68594766) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
PubChem CID68594766
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
SMILESCc1ccc(OC[C@H]2CCCNC2)c(Oc2c(F)cccc2F)n1
InChIInChI=1S/C18H20F2N2O2/c1-12-7-8-16(23-11-13-4-3-9-21-10-13)18(22-12)24-17-14(19)5-2-6-15(17)20/h2,5-8,13,21H,3-4,9-11H2,1H3/t13-/m0/s1
InChIKeyQMIKHMWDBGDESU-ZDUSSCGKSA-N
XLogP3.84
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine (CID 68594766) is 2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is Cc1ccc(OC[C@H]2CCCNC2)c(Oc2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
The InChIKey is QMIKHMWDBGDESU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-12-7-8-16(23-11-13-4-3-9-21-10-13)18(22-12)24-17-14(19)5-2-6-15(17)20/h2,5-8,13,21H,3-4,9-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine?
2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine has a molecular weight of 334.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenoxy)-6-methyl-3-[[(3S)-piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 68594766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).