1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone

C17H23FN2O2 — CID 110853314

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
SMILESO=C(CC1CCCOC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O2/c18-15-3-5-16(6-4-15)19-7-9-20(10-8-19)17(21)12-14-2-1-11-22-13-14/h3-6,14H,1-2,7-13H2
InChIKeyLIDLCEHLMWLOCU-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.29
Rot. Bonds3

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone (PubChem CID 110853314) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
PubChem CID110853314
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
SMILESO=C(CC1CCCOC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O2/c18-15-3-5-16(6-4-15)19-7-9-20(10-8-19)17(21)12-14-2-1-11-22-13-14/h3-6,14H,1-2,7-13H2
InChIKeyLIDLCEHLMWLOCU-UHFFFAOYSA-N
XLogP2.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-Fluorophenyl)piperazin-1-yl][1-(2-methylpropyl)piperidin-4-yl]methanone
CID 883940
1-(4-fluorophenyl)-4-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-3-piperidinyl]piperazine
CID 24791738
1-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-3-piperidinyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 24817649
5-[4-(4-Fluorophenyl)piperazine-1-carbonyl]-6-(methoxymethyl)-1-methylpiperidin-2-one
CID 124049165
1-[1-Benzyl-2-(methoxymethyl)piperidine-3-carbonyl]-4-(4-fluorophenyl)piperazine
CID 124049185
1-(Cyclohexylcarbonyl)-4-(2-fluorophenyl)piperazine
CID 808002
Cambridge id 6579428
CID 1343470
N-cyclohexyl-N-[2-(3,5-difluoroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 56665500
3-Cyclopentyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 868250
2-Ethyl-1-[4-(4-fluorophenyl)piperazin-1-yl]butan-1-one
CID 2165126
1-[4-(4-Fluorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 2890343
[1-(Cyclohex-3-en-1-ylmethyl)piperidin-4-yl][4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2903691

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone (CID 110853314) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone is O=C(CC1CCCOC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone?
The InChIKey is LIDLCEHLMWLOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-15-3-5-16(6-4-15)19-7-9-20(10-8-19)17(21)12-14-2-1-11-22-13-14/h3-6,14H,1-2,7-13H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone has a molecular weight of 306.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone is sourced from PubChem (CID 110853314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).