3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine

C17H19FN2O — CID 171914914

IUPAC3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine
SMILESCOc1ccccc1C1CCN(c2ncccc2F)CC1
InChIInChI=1S/C17H19FN2O/c1-21-16-7-3-2-5-14(16)13-8-11-20(12-9-13)17-15(18)6-4-10-19-17/h2-7,10,13H,8-9,11-12H2,1H3
InChIKeyVLGBTWZXPCAYAM-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.61
Rot. Bonds3

About 3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine

3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine (PubChem CID 171914914) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine
PubChem CID171914914
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine
SMILESCOc1ccccc1C1CCN(c2ncccc2F)CC1
InChIInChI=1S/C17H19FN2O/c1-21-16-7-3-2-5-14(16)13-8-11-20(12-9-13)17-15(18)6-4-10-19-17/h2-7,10,13H,8-9,11-12H2,1H3
InChIKeyVLGBTWZXPCAYAM-UHFFFAOYSA-N
XLogP3.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine?
The IUPAC name of 3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine (CID 171914914) is 3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine?
The canonical SMILES for 3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine is COc1ccccc1C1CCN(c2ncccc2F)CC1.
What is the InChIKey of 3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine?
The InChIKey is VLGBTWZXPCAYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-21-16-7-3-2-5-14(16)13-8-11-20(12-9-13)17-15(18)6-4-10-19-17/h2-7,10,13H,8-9,11-12H2,1H3.
What are the key properties of 3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine?
3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine has a molecular weight of 286.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 171914914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).