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

C16H21FN2O2 — CID 104750092

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone
SMILESO=C(CN1CCN(c2ccccc2F)CC1)C1CCOC1
InChIInChI=1S/C16H21FN2O2/c17-14-3-1-2-4-15(14)19-8-6-18(7-9-19)11-16(20)13-5-10-21-12-13/h1-4,13H,5-12H2
InChIKeyOHGFUOJTCDKKGQ-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.55
Rot. Bonds4

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

2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone (PubChem CID 104750092) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone
PubChem CID104750092
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone
SMILESO=C(CN1CCN(c2ccccc2F)CC1)C1CCOC1
InChIInChI=1S/C16H21FN2O2/c17-14-3-1-2-4-15(14)19-8-6-18(7-9-19)11-16(20)13-5-10-21-12-13/h1-4,13H,5-12H2
InChIKeyOHGFUOJTCDKKGQ-UHFFFAOYSA-N
XLogP1.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 104749860
[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 99830247
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750805
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994922
1-(oxolan-3-yl)-2-piperazin-1-ylethanone
CID 104750458
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150835
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone (CID 104750092) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone is O=C(CN1CCN(c2ccccc2F)CC1)C1CCOC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone?
The InChIKey is OHGFUOJTCDKKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-14-3-1-2-4-15(14)19-8-6-18(7-9-19)11-16(20)13-5-10-21-12-13/h1-4,13H,5-12H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone?
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone has a molecular weight of 292.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104750092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).