1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone

C10H19FN2O — CID 44521771

IUPAC1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(C)(C)F)CC1
InChIInChI=1S/C10H19FN2O/c1-9(14)13-6-4-12(5-7-13)8-10(2,3)11/h4-8H2,1-3H3
InChIKeyBXBGTFDSHCGHEV-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.90
Rot. Bonds2

About 1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone

1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone (PubChem CID 44521771) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone
PubChem CID44521771
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(C)(C)F)CC1
InChIInChI=1S/C10H19FN2O/c1-9(14)13-6-4-12(5-7-13)8-10(2,3)11/h4-8H2,1-3H3
InChIKeyBXBGTFDSHCGHEV-UHFFFAOYSA-N
XLogP0.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone (CID 44521771) is 1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CC(C)(C)F)CC1.
What is the InChIKey of 1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone?
The InChIKey is BXBGTFDSHCGHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-9(14)13-6-4-12(5-7-13)8-10(2,3)11/h4-8H2,1-3H3.
What are the key properties of 1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone?
1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone has a molecular weight of 202.27 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 44521771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).