1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone

C17H23FN2O2 — CID 110708825

IUPAC1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESCC(C1CC1)N1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O2/c1-13(14-2-3-14)19-8-10-20(11-9-19)17(21)12-22-16-6-4-15(18)5-7-16/h4-7,13-14H,2-3,8-12H2,1H3
InChIKeyZEADVHOFPIFVPA-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.15
Rot. Bonds5

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

1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone (PubChem CID 110708825) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
PubChem CID110708825
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESCC(C1CC1)N1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O2/c1-13(14-2-3-14)19-8-10-20(11-9-19)17(21)12-22-16-6-4-15(18)5-7-16/h4-7,13-14H,2-3,8-12H2,1H3
InChIKeyZEADVHOFPIFVPA-UHFFFAOYSA-N
XLogP2.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone with MolForge

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 78877413
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 1390511
2-(4-fluorophenoxy)-1-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]ethanone
CID 25452506
2-ethoxy-1-[4-[2-(4-fluorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 135093803
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate
CID 110822979
1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 155941561
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 78877519
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 78896879

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone (CID 110708825) is 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone is CC(C1CC1)N1CCN(C(=O)COc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The InChIKey is ZEADVHOFPIFVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-13(14-2-3-14)19-8-10-20(11-9-19)17(21)12-22-16-6-4-15(18)5-7-16/h4-7,13-14H,2-3,8-12H2,1H3.
What are the key properties of 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone has a molecular weight of 306.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 110708825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).