6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid

C17H17FN2O3 — CID 72895339

IUPAC6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(Oc3cccc(F)c3)CC2)nc1
InChIInChI=1S/C17H17FN2O3/c18-13-2-1-3-15(10-13)23-14-6-8-20(9-7-14)16-5-4-12(11-19-16)17(21)22/h1-5,10-11,14H,6-9H2,(H,21,22)
InChIKeyYJOAKOAHEUJRIR-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.97
Rot. Bonds4

About 6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid

6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 72895339) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID72895339
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(Oc3cccc(F)c3)CC2)nc1
InChIInChI=1S/C17H17FN2O3/c18-13-2-1-3-15(10-13)23-14-6-8-20(9-7-14)16-5-4-12(11-19-16)17(21)22/h1-5,10-11,14H,6-9H2,(H,21,22)
InChIKeyYJOAKOAHEUJRIR-UHFFFAOYSA-N
XLogP2.97
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid (CID 72895339) is 6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCC(Oc3cccc(F)c3)CC2)nc1.
What is the InChIKey of 6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is YJOAKOAHEUJRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c18-13-2-1-3-15(10-13)23-14-6-8-20(9-7-14)16-5-4-12(11-19-16)17(21)22/h1-5,10-11,14H,6-9H2,(H,21,22).
What are the key properties of 6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid?
6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 316.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-fluorophenoxy)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 72895339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).