1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone

C16H22FN3O2 — CID 110688043

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O2/c17-14-1-3-15(4-2-14)19-5-7-20(8-6-19)16(21)13-18-9-11-22-12-10-18/h1-4H,5-13H2
InChIKeyYKJVVEYONRBZCB-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.81
Rot. Bonds3

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 110688043) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID110688043
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O2/c17-14-1-3-15(4-2-14)19-5-7-20(8-6-19)16(21)13-18-9-11-22-12-10-18/h1-4H,5-13H2
InChIKeyYKJVVEYONRBZCB-UHFFFAOYSA-N
XLogP0.81
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 861157
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 167783334
(2S)-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 26040439
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 87019545
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015706
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671541
2-(4-fluorophenyl)-1-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37404624
1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55596207
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone (CID 110688043) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is YKJVVEYONRBZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c17-14-1-3-15(4-2-14)19-5-7-20(8-6-19)16(21)13-18-9-11-22-12-10-18/h1-4H,5-13H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 307.37 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 110688043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).