[2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite

C13H23FN2O2 — CID 143121304

IUPAC[2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite
SMILESCC(C)(COF)N1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C13H23FN2O2/c1-13(2,10-18-14)16-7-5-15(6-8-16)12(17)9-11-3-4-11/h11H,3-10H2,1-2H3
InChIKeyIUJYYKMSOYQFKY-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.61
Rot. Bonds5

About [2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite

[2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite (PubChem CID 143121304) has the molecular formula C13H23FN2O2 and a molecular weight of 258.34 g/mol. Its IUPAC name is [2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite.

Molecular Properties

Compound Name[2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite
PubChem CID143121304
Molecular FormulaC13H23FN2O2
Molecular Weight258.34 g/mol
Exact Mass258.17
IUPAC Name[2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite
SMILESCC(C)(COF)N1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C13H23FN2O2/c1-13(2,10-18-14)16-7-5-15(6-8-16)12(17)9-11-3-4-11/h11H,3-10H2,1-2H3
InChIKeyIUJYYKMSOYQFKY-UHFFFAOYSA-N
XLogP1.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite
CID 143121344
(2-Methylcyclopropyl)-(4-methylpiperazin-1-yl)methanone
CID 42909890
2-Cyclopropyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 43419622
2-Cyclopropyl-1-(4-methylpiperazin-1-yl)ethanone
CID 60753386
2-Cyclopropyl-1-[4-(2-methylbutan-2-yl)piperazin-1-yl]ethanone
CID 70906760
1-[4-(Cyclopropanecarbonyl)piperazin-1-yl]pentan-1-one
CID 110346861
2-Cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 124199978
2-Cyclopropyl-1-(4-pentan-2-ylpiperazin-1-yl)ethanone
CID 126759842
2-Cyclopropyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 135177467
1-(4-Butan-2-ylpiperazin-1-yl)-2-cyclopropylethanone
CID 135177468
1-(4-Tert-butylpiperazin-1-yl)-2-cyclopropylethanone
CID 138603786
2-Cyclopropyl-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone
CID 143121293

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite?
The IUPAC name of [2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite (CID 143121304) is [2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite.
What is the SMILES notation for [2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite?
The canonical SMILES for [2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite is CC(C)(COF)N1CCN(C(=O)CC2CC2)CC1.
What is the InChIKey of [2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite?
The InChIKey is IUJYYKMSOYQFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O2/c1-13(2,10-18-14)16-7-5-15(6-8-16)12(17)9-11-3-4-11/h11H,3-10H2,1-2H3.
What are the key properties of [2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite?
[2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite has a molecular weight of 258.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-2-methylpropyl] hypofluorite is sourced from PubChem (CID 143121304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).