1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone

C9H15FN2O — CID 126758473

IUPAC1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CC2F)CC1
InChIInChI=1S/C9H15FN2O/c1-7(13)11-2-4-12(5-3-11)9-6-8(9)10/h8-9H,2-6H2,1H3
InChIKeyWOMDWUBHKJAWJQ-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.26
Rot. Bonds1

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

1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone (PubChem CID 126758473) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone
PubChem CID126758473
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CC2F)CC1
InChIInChI=1S/C9H15FN2O/c1-7(13)11-2-4-12(5-3-11)9-6-8(9)10/h8-9H,2-6H2,1H3
InChIKeyWOMDWUBHKJAWJQ-UHFFFAOYSA-N
XLogP0.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone (CID 126758473) is 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C2CC2F)CC1.
What is the InChIKey of 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone?
The InChIKey is WOMDWUBHKJAWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-7(13)11-2-4-12(5-3-11)9-6-8(9)10/h8-9H,2-6H2,1H3.
What are the key properties of 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone?
1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone has a molecular weight of 186.23 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorocyclopropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 126758473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).