(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one

C16H24FN2O2+ — CID 9173669

IUPAC(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one
SMILESCC[C@@H](Oc1ccccc1F)C(=O)N1CC[NH+](CC)CC1
InChIInChI=1S/C16H23FN2O2/c1-3-14(21-15-8-6-5-7-13(15)17)16(20)19-11-9-18(4-2)10-12-19/h5-8,14H,3-4,9-12H2,1-2H3/p+1/t14-/m1/s1
InChIKeyMPQMSOBIBBSVJH-CQSZACIVSA-O
MW295.38 g/mol
LogP0.73
Rot. Bonds5

About (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one

(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one (PubChem CID 9173669) has the molecular formula C16H24FN2O2+ and a molecular weight of 295.38 g/mol. Its IUPAC name is (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one
PubChem CID9173669
Molecular FormulaC16H24FN2O2+
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one
SMILESCC[C@@H](Oc1ccccc1F)C(=O)N1CC[NH+](CC)CC1
InChIInChI=1S/C16H23FN2O2/c1-3-14(21-15-8-6-5-7-13(15)17)16(20)19-11-9-18(4-2)10-12-19/h5-8,14H,3-4,9-12H2,1-2H3/p+1/t14-/m1/s1
InChIKeyMPQMSOBIBBSVJH-CQSZACIVSA-O
XLogP0.73
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one
CID 53286283
1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 119377005
1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166431
(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methylphenoxy)butan-1-one
CID 9180724
1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 16677782
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 119625530
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 120808959
(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)propan-1-one
CID 2184927
2-(2-fluorophenoxy)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 136570836
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 124684153
(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 28551833

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one?
The IUPAC name of (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one (CID 9173669) is (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one.
What is the SMILES notation for (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one?
The canonical SMILES for (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one is CC[C@@H](Oc1ccccc1F)C(=O)N1CC[NH+](CC)CC1.
What is the InChIKey of (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one?
The InChIKey is MPQMSOBIBBSVJH-CQSZACIVSA-O. The full InChI is InChI=1S/C16H23FN2O2/c1-3-14(21-15-8-6-5-7-13(15)17)16(20)19-11-9-18(4-2)10-12-19/h5-8,14H,3-4,9-12H2,1-2H3/p+1/t14-/m1/s1.
What are the key properties of (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one?
(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one has a molecular weight of 295.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one is sourced from PubChem (CID 9173669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).