1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone

C13H17FN2O2 — CID 22355888

IUPAC1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone
SMILESCOc1cc(F)ccc1C(=O)CN1CCNCC1
InChIInChI=1S/C13H17FN2O2/c1-18-13-8-10(14)2-3-11(13)12(17)9-16-6-4-15-5-7-16/h2-3,8,15H,4-7,9H2,1H3
InChIKeyWGBIBODFJOZWEE-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.92
Rot. Bonds4

About 1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone

1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone (PubChem CID 22355888) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone
PubChem CID22355888
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone
SMILESCOc1cc(F)ccc1C(=O)CN1CCNCC1
InChIInChI=1S/C13H17FN2O2/c1-18-13-8-10(14)2-3-11(13)12(17)9-16-6-4-15-5-7-16/h2-3,8,15H,4-7,9H2,1H3
InChIKeyWGBIBODFJOZWEE-UHFFFAOYSA-N
XLogP0.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62036985
1-(5-fluoro-2-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62051168
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43228143
4-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366237
2-(5-fluoro-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82087911
1-(3-ethyl-4-methoxyphenyl)-2-piperazin-1-ylethanone
CID 95468407
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
1-(4-butoxy-2-fluorophenyl)-2-piperazin-1-ylethanone
CID 165354806
3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal
CID 55262322

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone (CID 22355888) is 1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone is COc1cc(F)ccc1C(=O)CN1CCNCC1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone?
The InChIKey is WGBIBODFJOZWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-13-8-10(14)2-3-11(13)12(17)9-16-6-4-15-5-7-16/h2-3,8,15H,4-7,9H2,1H3.
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone?
1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone has a molecular weight of 252.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 22355888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).