4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid

C19H21FN2O4 — CID 68876308

IUPAC4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid
SMILESCCOc1cccc(F)c1Oc1ncccc1C1CCN(C(=O)O)CC1
InChIInChI=1S/C19H21FN2O4/c1-2-25-16-7-3-6-15(20)17(16)26-18-14(5-4-10-21-18)13-8-11-22(12-9-13)19(23)24/h3-7,10,13H,2,8-9,11-12H2,1H3,(H,23,24)
InChIKeyWZIOGHPNZSFRIS-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.27
Rot. Bonds5

About 4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid

4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid (PubChem CID 68876308) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid
PubChem CID68876308
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid
SMILESCCOc1cccc(F)c1Oc1ncccc1C1CCN(C(=O)O)CC1
InChIInChI=1S/C19H21FN2O4/c1-2-25-16-7-3-6-15(20)17(16)26-18-14(5-4-10-21-18)13-8-11-22(12-9-13)19(23)24/h3-7,10,13H,2,8-9,11-12H2,1H3,(H,23,24)
InChIKeyWZIOGHPNZSFRIS-UHFFFAOYSA-N
XLogP4.27
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid (CID 68876308) is 4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid is CCOc1cccc(F)c1Oc1ncccc1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid?
The InChIKey is WZIOGHPNZSFRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-2-25-16-7-3-6-15(20)17(16)26-18-14(5-4-10-21-18)13-8-11-22(12-9-13)19(23)24/h3-7,10,13H,2,8-9,11-12H2,1H3,(H,23,24).
What are the key properties of 4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid?
4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid has a molecular weight of 360.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68876308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).