1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one

C17H24FN3O2 — CID 120736144

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C17H24FN3O2/c1-13(20-7-9-23-10-8-20)17(22)21-6-5-19-12-16(21)14-3-2-4-15(18)11-14/h2-4,11,13,16,19H,5-10,12H2,1H3
InChIKeyOSIPYWRUFIIROB-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.02
Rot. Bonds3

About 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one (PubChem CID 120736144) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
PubChem CID120736144
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C17H24FN3O2/c1-13(20-7-9-23-10-8-20)17(22)21-6-5-19-12-16(21)14-3-2-4-15(18)11-14/h2-4,11,13,16,19H,5-10,12H2,1H3
InChIKeyOSIPYWRUFIIROB-UHFFFAOYSA-N
XLogP1.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(3-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 120737082
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 120737134
2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735900
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 120737414
[2-(3-fluorophenyl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)propan-1-one;hydrochloride
CID 120737193
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
2-butylsulfanyl-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735966
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one;hydrochloride
CID 120737787
[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120735794
4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 120736192
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
CID 120735492

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one (CID 120736144) is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCNCC1c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
The InChIKey is OSIPYWRUFIIROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-13(20-7-9-23-10-8-20)17(22)21-6-5-19-12-16(21)14-3-2-4-15(18)11-14/h2-4,11,13,16,19H,5-10,12H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 321.40 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 120736144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).