1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one

C16H24FN3O2 — CID 109015201

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one
SMILESCOCCNCCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O2/c1-22-13-8-18-7-6-16(21)20-11-9-19(10-12-20)15-5-3-2-4-14(15)17/h2-5,18H,6-13H2,1H3
InChIKeyYNWOVHYLDCMVTJ-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.10
Rot. Bonds7

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one (PubChem CID 109015201) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one
PubChem CID109015201
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one
SMILESCOCCNCCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O2/c1-22-13-8-18-7-6-16(21)20-11-9-19(10-12-20)15-5-3-2-4-14(15)17/h2-5,18H,6-13H2,1H3
InChIKeyYNWOVHYLDCMVTJ-UHFFFAOYSA-N
XLogP1.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylpropylamino)propan-1-one
CID 109012792
3-[3-(dimethylamino)propylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109017069
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(prop-2-enylamino)propan-1-one
CID 109012047
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methoxypropylamino)propan-1-one
CID 109015536
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(2-methylphenyl)methylamino]propan-1-one
CID 109019284
3-[(4-fluorophenyl)methylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109021197
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029809
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 30450778
3-(2,3-dimethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029829
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one (CID 109015201) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one is COCCNCCC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one?
The InChIKey is YNWOVHYLDCMVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-22-13-8-18-7-6-16(21)20-11-9-19(10-12-20)15-5-3-2-4-14(15)17/h2-5,18H,6-13H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one?
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one has a molecular weight of 309.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one is sourced from PubChem (CID 109015201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).