1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine

C15H24FN3 — CID 55168867

IUPAC1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
SMILESCC(c1cccc(F)c1)N(C)CCN1CCNCC1
InChIInChI=1S/C15H24FN3/c1-13(14-4-3-5-15(16)12-14)18(2)10-11-19-8-6-17-7-9-19/h3-5,12-13,17H,6-11H2,1-2H3
InChIKeyCAGVODPWGRLVKP-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.72
Rot. Bonds5

About 1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine

1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine (PubChem CID 55168867) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
PubChem CID55168867
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
SMILESCC(c1cccc(F)c1)N(C)CCN1CCNCC1
InChIInChI=1S/C15H24FN3/c1-13(14-4-3-5-15(16)12-14)18(2)10-11-19-8-6-17-7-9-19/h3-5,12-13,17H,6-11H2,1-2H3
InChIKeyCAGVODPWGRLVKP-UHFFFAOYSA-N
XLogP1.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[methyl(2-piperazin-1-ylethyl)amino]ethyl]benzonitrile
CID 63991133
1-(2,6-difluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 63267675
1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 63267366
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 63265596
N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine
CID 63267619
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
1-[(1R)-1-(3-fluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171285907
1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 3971092
N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 63265653
2-(3-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446147
2-(3-fluorophenyl)-5-piperazin-1-yl-2-propan-2-ylpentanenitrile
CID 22393736

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine (CID 55168867) is 1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine is CC(c1cccc(F)c1)N(C)CCN1CCNCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine?
The InChIKey is CAGVODPWGRLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-13(14-4-3-5-15(16)12-14)18(2)10-11-19-8-6-17-7-9-19/h3-5,12-13,17H,6-11H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine?
1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine has a molecular weight of 265.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine is sourced from PubChem (CID 55168867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).