1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine

C12H17F2N3 — CID 116954814

IUPAC1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
SMILESCNC(c1ccc(F)cc1F)N1CCNCC1
InChIInChI=1S/C12H17F2N3/c1-15-12(17-6-4-16-5-7-17)10-3-2-9(13)8-11(10)14/h2-3,8,12,15-16H,4-7H2,1H3
InChIKeyZQTDQBUMHKLUCT-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.09
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine

1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine (PubChem CID 116954814) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
PubChem CID116954814
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
SMILESCNC(c1ccc(F)cc1F)N1CCNCC1
InChIInChI=1S/C12H17F2N3/c1-15-12(17-6-4-16-5-7-17)10-3-2-9(13)8-11(10)14/h2-3,8,12,15-16H,4-7H2,1H3
InChIKeyZQTDQBUMHKLUCT-UHFFFAOYSA-N
XLogP1.09
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954788
1-[(1S)-1-(2,4-difluorophenyl)ethyl]piperazine;hydrochloride
CID 171162993
1-[(1S)-1-(2,4-difluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305031
1-(2,4-difluorophenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954962
1-[(1S)-1-(2,4-difluorophenyl)prop-2-enyl]piperazine
CID 171162999
1-[(2,4-difluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 5211838
1-[(1S)-1-(2,4-difluorophenyl)prop-2-enyl]piperazine;hydrochloride
CID 171163000
1-[cyclobutyl-(2,4-difluorophenyl)methyl]piperazine
CID 82304452
1-(3-chloro-4-fluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954827
1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;hydrochloride
CID 171163026
1-[(1S)-1-(2,4-difluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171273180
1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308638

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine (CID 116954814) is 1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine is CNC(c1ccc(F)cc1F)N1CCNCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine?
The InChIKey is ZQTDQBUMHKLUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-15-12(17-6-4-16-5-7-17)10-3-2-9(13)8-11(10)14/h2-3,8,12,15-16H,4-7H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine?
1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine has a molecular weight of 241.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine is sourced from PubChem (CID 116954814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).