4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid

C17H17FN2O3 — CID 56891308

IUPAC4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2cccc(F)c2)CCN(c2ccncc2)CC1
InChIInChI=1S/C17H17FN2O3/c18-13-2-1-3-15(12-13)23-17(16(21)22)6-10-20(11-7-17)14-4-8-19-9-5-14/h1-5,8-9,12H,6-7,10-11H2,(H,21,22)
InChIKeyQGLUDELAWAUWOZ-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.72
Rot. Bonds4

About 4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid

4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid (PubChem CID 56891308) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid
PubChem CID56891308
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2cccc(F)c2)CCN(c2ccncc2)CC1
InChIInChI=1S/C17H17FN2O3/c18-13-2-1-3-15(12-13)23-17(16(21)22)6-10-20(11-7-17)14-4-8-19-9-5-14/h1-5,8-9,12H,6-7,10-11H2,(H,21,22)
InChIKeyQGLUDELAWAUWOZ-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid (CID 56891308) is 4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid is O=C(O)C1(Oc2cccc(F)c2)CCN(c2ccncc2)CC1.
What is the InChIKey of 4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid?
The InChIKey is QGLUDELAWAUWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c18-13-2-1-3-15(12-13)23-17(16(21)22)6-10-20(11-7-17)14-4-8-19-9-5-14/h1-5,8-9,12H,6-7,10-11H2,(H,21,22).
What are the key properties of 4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid?
4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid has a molecular weight of 316.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56891308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).