1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine

C13H19FN2 — CID 84788709

IUPAC1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
SMILESCc1cc(F)c(C)c(CN2CCNCC2)c1
InChIInChI=1S/C13H19FN2/c1-10-7-12(11(2)13(14)8-10)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3
InChIKeyQTTJQKMYRZHXRE-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.85
Rot. Bonds2

About 1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine

1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine (PubChem CID 84788709) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
PubChem CID84788709
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
SMILESCc1cc(F)c(C)c(CN2CCNCC2)c1
InChIInChI=1S/C13H19FN2/c1-10-7-12(11(2)13(14)8-10)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3
InChIKeyQTTJQKMYRZHXRE-UHFFFAOYSA-N
XLogP1.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-fluoro-3-methoxy-2-methylphenyl)methyl]piperazine
CID 84700768
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-[(3-bromo-4-fluoro-2-methylphenyl)methyl]piperazine
CID 84814024
3-fluoro-2-methyl-5-(piperazin-1-ylmethyl)aniline
CID 82509599
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
2-(aminomethyl)-6-[[4-[[3-(aminomethyl)-2-hydroxy-5-methylphenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-methylphenol
CID 170744074
1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
CID 84701977
1-[[3-(difluoromethyl)-2-methoxy-5-methylphenyl]methyl]piperazine
CID 117429093
5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one
CID 82507416
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
1-[(3-fluoro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 83842778

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine (CID 84788709) is 1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine is Cc1cc(F)c(C)c(CN2CCNCC2)c1.
What is the InChIKey of 1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine?
The InChIKey is QTTJQKMYRZHXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-7-12(11(2)13(14)8-10)9-16-5-3-15-4-6-16/h7-8,15H,3-6,9H2,1-2H3.
What are the key properties of 1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine?
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine has a molecular weight of 222.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 84788709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).