2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone

C10H19FN2O2 — CID 119104737

IUPAC2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(CCF)CC1
InChIInChI=1S/C10H19FN2O2/c1-2-15-9-10(14)13-7-5-12(4-3-11)6-8-13/h2-9H2,1H3
InChIKeySRHKUKBDRVTXRG-UHFFFAOYSA-N
MW218.27 g/mol
LogP0.14
Rot. Bonds5

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

2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone (PubChem CID 119104737) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone
PubChem CID119104737
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(CCF)CC1
InChIInChI=1S/C10H19FN2O2/c1-2-15-9-10(14)13-7-5-12(4-3-11)6-8-13/h2-9H2,1H3
InChIKeySRHKUKBDRVTXRG-UHFFFAOYSA-N
XLogP0.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
CID 60708281
1-[4-(4-aminobutyl)piperazin-1-yl]-2-ethoxyethanone
CID 43251793
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone
CID 60712478
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-ethoxyethanone
CID 43251389
1-[4-(2-chloroethyl)-1,4-diazepan-1-yl]-2-ethoxyethanone
CID 63394368
2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone
CID 79463496
3-chloro-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one
CID 121201944
1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
CID 61074490
1-[4-(2-fluoroethyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 121201948
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone (CID 119104737) is 2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone is CCOCC(=O)N1CCN(CCF)CC1.
What is the InChIKey of 2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone?
The InChIKey is SRHKUKBDRVTXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-2-15-9-10(14)13-7-5-12(4-3-11)6-8-13/h2-9H2,1H3.
What are the key properties of 2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone?
2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone has a molecular weight of 218.27 g/mol, XLogP of 0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119104737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).