2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one

C14H19FN2O2 — CID 64855022

IUPAC2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc(F)c(OC(C)C(=O)N2CCNCC2)c1
InChIInChI=1S/C14H19FN2O2/c1-10-3-4-12(15)13(9-10)19-11(2)14(18)17-7-5-16-6-8-17/h3-4,9,11,16H,5-8H2,1-2H3
InChIKeyNXMYATZORMVOAO-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.33
Rot. Bonds3

About 2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one

2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one (PubChem CID 64855022) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one
PubChem CID64855022
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc(F)c(OC(C)C(=O)N2CCNCC2)c1
InChIInChI=1S/C14H19FN2O2/c1-10-3-4-12(15)13(9-10)19-11(2)14(18)17-7-5-16-6-8-17/h3-4,9,11,16H,5-8H2,1-2H3
InChIKeyNXMYATZORMVOAO-UHFFFAOYSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24696652
2-(3-chloro-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 63879337
2-(3-bromo-4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 83235034
1-(1,4-diazepan-1-yl)-2-(2,4-dichlorophenoxy)propan-1-one;hydrochloride
CID 119414831
2-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24695297
2-(2-methoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 24705201
1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)propan-1-one
CID 115918466
2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64854262
2-(5-chloro-2-nitrophenoxy)-1-piperazin-1-ylpropan-1-one
CID 62304501
2-(2-methyl-5-nitrophenoxy)-1-piperazin-1-ylpropan-1-one
CID 61032443
2-(2,5-dibromo-4-methoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 79406187
(2S)-1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 39416084

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one (CID 64855022) is 2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one is Cc1ccc(F)c(OC(C)C(=O)N2CCNCC2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one?
The InChIKey is NXMYATZORMVOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10-3-4-12(15)13(9-10)19-11(2)14(18)17-7-5-16-6-8-17/h3-4,9,11,16H,5-8H2,1-2H3.
What are the key properties of 2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one?
2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one has a molecular weight of 266.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 64855022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).