2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone

C11H19FN2O — CID 45081124

IUPAC2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone
SMILESCC(C)=CCN1CCN(C(=O)CF)CC1
InChIInChI=1S/C11H19FN2O/c1-10(2)3-4-13-5-7-14(8-6-13)11(15)9-12/h3H,4-9H2,1-2H3
InChIKeyFXFZVGONUOFJJX-UHFFFAOYSA-N
MW214.28 g/mol
LogP1.07
Rot. Bonds3

About 2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone

2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone (PubChem CID 45081124) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone
PubChem CID45081124
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone
SMILESCC(C)=CCN1CCN(C(=O)CF)CC1
InChIInChI=1S/C11H19FN2O/c1-10(2)3-4-13-5-7-14(8-6-13)11(15)9-12/h3H,4-9H2,1-2H3
InChIKeyFXFZVGONUOFJJX-UHFFFAOYSA-N
XLogP1.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone (CID 45081124) is 2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone is CC(C)=CCN1CCN(C(=O)CF)CC1.
What is the InChIKey of 2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone?
The InChIKey is FXFZVGONUOFJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-10(2)3-4-13-5-7-14(8-6-13)11(15)9-12/h3H,4-9H2,1-2H3.
What are the key properties of 2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone?
2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone has a molecular weight of 214.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 45081124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).