2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone

C20H23FN2O3 — CID 53150946

IUPAC2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC(CCOc2ccncc2)CC1
InChIInChI=1S/C20H23FN2O3/c21-17-1-3-18(4-2-17)26-15-20(24)23-12-7-16(8-13-23)9-14-25-19-5-10-22-11-6-19/h1-6,10-11,16H,7-9,12-15H2
InChIKeyISKXELBNDOMAJH-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.31
Rot. Bonds7

About 2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone

2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone (PubChem CID 53150946) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone
PubChem CID53150946
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC(CCOc2ccncc2)CC1
InChIInChI=1S/C20H23FN2O3/c21-17-1-3-18(4-2-17)26-15-20(24)23-12-7-16(8-13-23)9-14-25-19-5-10-22-11-6-19/h1-6,10-11,16H,7-9,12-15H2
InChIKeyISKXELBNDOMAJH-UHFFFAOYSA-N
XLogP3.31
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone (CID 53150946) is 2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone is O=C(COc1ccc(F)cc1)N1CCC(CCOc2ccncc2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone?
The InChIKey is ISKXELBNDOMAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-17-1-3-18(4-2-17)26-15-20(24)23-12-7-16(8-13-23)9-14-25-19-5-10-22-11-6-19/h1-6,10-11,16H,7-9,12-15H2.
What are the key properties of 2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone?
2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone has a molecular weight of 358.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53150946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).