2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one

C15H20F2N2O2 — CID 122157838

IUPAC2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1cc(F)ccc1N1CCN(C(=O)C(C)(C)F)CC1
InChIInChI=1S/C15H20F2N2O2/c1-15(2,17)14(20)19-8-6-18(7-9-19)12-5-4-11(16)10-13(12)21-3/h4-5,10H,6-9H2,1-3H3
InChIKeyQRMVYPAECOGJLS-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.23
Rot. Bonds3

About 2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one

2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 122157838) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID122157838
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1cc(F)ccc1N1CCN(C(=O)C(C)(C)F)CC1
InChIInChI=1S/C15H20F2N2O2/c1-15(2,17)14(20)19-8-6-18(7-9-19)12-5-4-11(16)10-13(12)21-3/h4-5,10H,6-9H2,1-3H3
InChIKeyQRMVYPAECOGJLS-UHFFFAOYSA-N
XLogP2.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119888914
1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538787
3-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120504044
(1-aminocyclopentyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 119888907
(3-aminophenyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888924
2-(4-aminophenyl)-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119888892
2-(5-fluoro-1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113209925
2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 5075604
3-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;dihydrochloride
CID 119888904
3-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119953957
[(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 124686187
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119888948

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one (CID 122157838) is 2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one is COc1cc(F)ccc1N1CCN(C(=O)C(C)(C)F)CC1.
What is the InChIKey of 2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is QRMVYPAECOGJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-15(2,17)14(20)19-8-6-18(7-9-19)12-5-4-11(16)10-13(12)21-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one?
2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 298.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 122157838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).