2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine

C18H21FN2O — CID 129244797

IUPAC2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine
SMILESCOC1CCN(Cc2cc(F)cc(-c3ccccn3)c2)CC1
InChIInChI=1S/C18H21FN2O/c1-22-17-5-8-21(9-6-17)13-14-10-15(12-16(19)11-14)18-4-2-3-7-20-18/h2-4,7,10-12,17H,5-6,8-9,13H2,1H3
InChIKeyCGGRJWHETXUAGZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.50
Rot. Bonds4

About 2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine

2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine (PubChem CID 129244797) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine
PubChem CID129244797
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine
SMILESCOC1CCN(Cc2cc(F)cc(-c3ccccn3)c2)CC1
InChIInChI=1S/C18H21FN2O/c1-22-17-5-8-21(9-6-17)13-14-10-15(12-16(19)11-14)18-4-2-3-7-20-18/h2-4,7,10-12,17H,5-6,8-9,13H2,1H3
InChIKeyCGGRJWHETXUAGZ-UHFFFAOYSA-N
XLogP3.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine?
The IUPAC name of 2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine (CID 129244797) is 2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine?
The canonical SMILES for 2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine is COC1CCN(Cc2cc(F)cc(-c3ccccn3)c2)CC1.
What is the InChIKey of 2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine?
The InChIKey is CGGRJWHETXUAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-22-17-5-8-21(9-6-17)13-14-10-15(12-16(19)11-14)18-4-2-3-7-20-18/h2-4,7,10-12,17H,5-6,8-9,13H2,1H3.
What are the key properties of 2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine?
2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine has a molecular weight of 300.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine is sourced from PubChem (CID 129244797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).