3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one

C16H24FN3O — CID 62977945

IUPAC3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one
SMILESCC(c1ccccc1F)N(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C16H24FN3O/c1-13(14-5-3-4-6-15(14)17)19(2)10-7-16(21)20-11-8-18-9-12-20/h3-6,13,18H,7-12H2,1-2H3
InChIKeyKOAOWJSNBZEDBY-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.64
Rot. Bonds5

About 3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one

3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one (PubChem CID 62977945) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one
PubChem CID62977945
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one
SMILESCC(c1ccccc1F)N(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C16H24FN3O/c1-13(14-5-3-4-6-15(14)17)19(2)10-7-16(21)20-11-8-18-9-12-20/h3-6,13,18H,7-12H2,1-2H3
InChIKeyKOAOWJSNBZEDBY-UHFFFAOYSA-N
XLogP1.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 61018397
3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980467
3-[1-(2,4-dimethylphenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980796
3-(2-fluorophenyl)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403904
hydrazinyl 3-[1-(2-fluorophenyl)ethyl-methylamino]propanoate
CID 66338215
4-(2,3-difluorophenyl)-1-piperazin-1-ylpentan-1-one
CID 83925488
1-(2-fluorophenyl)-N-methyl-N-(2-piperidin-4-ylethyl)ethanamine
CID 62984190
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]piperidin-4-ol
CID 62977944
3-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980681
3-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981095
3-[3-(4-chlorophenyl)butan-2-yl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982027
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one (CID 62977945) is 3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one is CC(c1ccccc1F)N(C)CCC(=O)N1CCNCC1.
What is the InChIKey of 3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is KOAOWJSNBZEDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-13(14-5-3-4-6-15(14)17)19(2)10-7-16(21)20-11-8-18-9-12-20/h3-6,13,18H,7-12H2,1-2H3.
What are the key properties of 3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one?
3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 293.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 62977945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).