1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid

C17H16F2N2O3 — CID 90046663

IUPAC1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cncc(Oc3ccc(F)cc3)c2F)CC1
InChIInChI=1S/C17H16F2N2O3/c18-12-1-3-13(4-2-12)24-15-10-20-9-14(16(15)19)21-7-5-11(6-8-21)17(22)23/h1-4,9-11H,5-8H2,(H,22,23)
InChIKeyMFJUNQNKBWRTIH-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.45
Rot. Bonds4

About 1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid

1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 90046663) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid
PubChem CID90046663
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cncc(Oc3ccc(F)cc3)c2F)CC1
InChIInChI=1S/C17H16F2N2O3/c18-12-1-3-13(4-2-12)24-15-10-20-9-14(16(15)19)21-7-5-11(6-8-21)17(22)23/h1-4,9-11H,5-8H2,(H,22,23)
InChIKeyMFJUNQNKBWRTIH-UHFFFAOYSA-N
XLogP3.45
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid (CID 90046663) is 1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cncc(Oc3ccc(F)cc3)c2F)CC1.
What is the InChIKey of 1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is MFJUNQNKBWRTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-12-1-3-13(4-2-12)24-15-10-20-9-14(16(15)19)21-7-5-11(6-8-21)17(22)23/h1-4,9-11H,5-8H2,(H,22,23).
What are the key properties of 1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid?
1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 334.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-5-(4-fluorophenoxy)-3-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 90046663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).