1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine

C13H19FN2 — CID 64937185

IUPAC1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine
SMILESCc1c(F)cccc1N1CC(C)NCC1C
InChIInChI=1S/C13H19FN2/c1-9-8-16(10(2)7-15-9)13-6-4-5-12(14)11(13)3/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyMTAIQYBGMIFJTF-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.32
Rot. Bonds1

About 1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine

1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine (PubChem CID 64937185) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine
PubChem CID64937185
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine
SMILESCc1c(F)cccc1N1CC(C)NCC1C
InChIInChI=1S/C13H19FN2/c1-9-8-16(10(2)7-15-9)13-6-4-5-12(14)11(13)3/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyMTAIQYBGMIFJTF-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
CID 64947289
1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine
CID 64936803
1-(3-fluoro-2-methylphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64946904
5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
CID 64946713
2,5-dimethyl-1-(3-methylsulfonyl-2-nitrophenyl)piperazine
CID 82000116
8-[(2R,5S)-2,5-dimethylpiperazin-1-yl]quinoline
CID 96915582
2,5-dimethyl-1-(2-propylphenyl)piperazine
CID 64938900
1-(2-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953891
1-(2,3-difluorophenyl)-5-methyl-2-phenylpiperazine
CID 64937541
5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
CID 64953705
5-(2,5-dimethylpiperazin-1-yl)isoquinoline
CID 64936926
2,5-dimethyl-1-(2-phenoxyphenyl)piperazine
CID 64951899

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine (CID 64937185) is 1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine is Cc1c(F)cccc1N1CC(C)NCC1C.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine?
The InChIKey is MTAIQYBGMIFJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9-8-16(10(2)7-15-9)13-6-4-5-12(14)11(13)3/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of 1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine?
1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine has a molecular weight of 222.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 64937185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).