2-(4-fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one

C20H24FN3O2 — CID 17011091

IUPAC2-(4-fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccc(F)cc1)C(=O)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C20H24FN3O2/c1-16(26-19-7-5-17(21)6-8-19)20(25)24-14-12-23(13-15-24)11-9-18-4-2-3-10-22-18/h2-8,10,16H,9,11-15H2,1H3
InChIKeyUQMUUMHAXNSOSG-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.37
Rot. Bonds6

About 2-(4-fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one

2-(4-fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one (PubChem CID 17011091) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one
PubChem CID17011091
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-(4-fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC(Oc1ccc(F)cc1)C(=O)N1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C20H24FN3O2/c1-16(26-19-7-5-17(21)6-8-19)20(25)24-14-12-23(13-15-24)11-9-18-4-2-3-10-22-18/h2-8,10,16H,9,11-15H2,1H3
InChIKeyUQMUUMHAXNSOSG-UHFFFAOYSA-N
XLogP2.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.37
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-2-ylethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(4-fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one (CID 17011091) is 2-(4-fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one is CC(Oc1ccc(F)cc1)C(=O)N1CCN(CCc2ccccn2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one?
The InChIKey is UQMUUMHAXNSOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-16(26-19-7-5-17(21)6-8-19)20(25)24-14-12-23(13-15-24)11-9-18-4-2-3-10-22-18/h2-8,10,16H,9,11-15H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one?
2-(4-fluorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one has a molecular weight of 357.43 g/mol, XLogP of 2.37, 6 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-2-ylethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 17011091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).