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

C17H24FN3O2 — CID 78786208

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O2/c1-14(17(22)21-10-12-23-13-11-21)19-6-8-20(9-7-19)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3
InChIKeyHWLMEKMQGQSQKT-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.20
Rot. Bonds3

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 78786208) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID78786208
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O2/c1-14(17(22)21-10-12-23-13-11-21)19-6-8-20(9-7-19)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3
InChIKeyHWLMEKMQGQSQKT-UHFFFAOYSA-N
XLogP1.20
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46614351
1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 119375838
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 92984644
4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,4-diazepan-1-yl]benzonitrile
CID 56815669
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17496772
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)propan-1-one
CID 167764287
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110884135
1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 119380573
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 78897651
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 9431608
2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 78786208) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is HWLMEKMQGQSQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-14(17(22)21-10-12-23-13-11-21)19-6-8-20(9-7-19)16-4-2-15(18)3-5-16/h2-5,14H,6-13H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 321.40 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 78786208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).