1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine

C13H19FN2 — CID 83811097

IUPAC1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine
SMILESCc1ccc(F)c(CN2CCNC(C)C2)c1
InChIInChI=1S/C13H19FN2/c1-10-3-4-13(14)12(7-10)9-16-6-5-15-11(2)8-16/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyJSCXVBPREGEZQB-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.93
Rot. Bonds2

About 1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine

1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine (PubChem CID 83811097) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine
PubChem CID83811097
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine
SMILESCc1ccc(F)c(CN2CCNC(C)C2)c1
InChIInChI=1S/C13H19FN2/c1-10-3-4-13(14)12(7-10)9-16-6-5-15-11(2)8-16/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyJSCXVBPREGEZQB-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine
CID 96916148
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924453
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane
CID 64858807
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperazine
CID 103947576
(3R)-1-[(2,3-dichloro-4-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 120845594
1-[(2-fluoro-3-methylphenyl)methyl]-3-methylpiperazine
CID 83811096
3-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64834386
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924261
3-(4-fluoro-3-methylphenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 136549348
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 104869878
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 104869446
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 80505562

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine?
The IUPAC name of 1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine (CID 83811097) is 1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine.
What is the SMILES notation for 1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine?
The canonical SMILES for 1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine is Cc1ccc(F)c(CN2CCNC(C)C2)c1.
What is the InChIKey of 1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine?
The InChIKey is JSCXVBPREGEZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-3-4-13(14)12(7-10)9-16-6-5-15-11(2)8-16/h3-4,7,11,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine?
1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine has a molecular weight of 222.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 83811097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).