1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine

C13H20FN3O — CID 116954788

IUPAC1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine
SMILESCNC(c1cc(F)ccc1OC)N1CCNCC1
InChIInChI=1S/C13H20FN3O/c1-15-13(17-7-5-16-6-8-17)11-9-10(14)3-4-12(11)18-2/h3-4,9,13,15-16H,5-8H2,1-2H3
InChIKeyCZICIRITUQSECN-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.96
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine

1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine (PubChem CID 116954788) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine
PubChem CID116954788
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine
SMILESCNC(c1cc(F)ccc1OC)N1CCNCC1
InChIInChI=1S/C13H20FN3O/c1-15-13(17-7-5-16-6-8-17)11-9-10(14)3-4-12(11)18-2/h3-4,9,13,15-16H,5-8H2,1-2H3
InChIKeyCZICIRITUQSECN-UHFFFAOYSA-N
XLogP0.96
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171164703
1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954814
1-[(1R)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171170190
1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 4202298
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutyl]piperazine;hydrochloride
CID 171170121
1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 4538369
(3R)-3-(5-fluoro-2-methoxyphenyl)-3-piperazin-1-ylpropanenitrile
CID 171306811
1-[(1S)-4,4,4-trifluoro-1-(5-fluoro-2-methoxyphenyl)butyl]piperazine;hydrochloride
CID 171164790
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171164755
1-[(2,4-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane
CID 3737760
(3R)-2,2-difluoro-3-(5-fluoro-2-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171179616
1-[(1R)-1-(5-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290387

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine (CID 116954788) is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine is CNC(c1cc(F)ccc1OC)N1CCNCC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine?
The InChIKey is CZICIRITUQSECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-15-13(17-7-5-16-6-8-17)11-9-10(14)3-4-12(11)18-2/h3-4,9,13,15-16H,5-8H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine?
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine has a molecular weight of 253.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-piperazin-1-ylmethanamine is sourced from PubChem (CID 116954788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).