2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine

C12H16F2N2O — CID 116829294

IUPAC2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine
SMILESCOc1cc(F)c(C2NCCNC2C)cc1F
InChIInChI=1S/C12H16F2N2O/c1-7-12(16-4-3-15-7)8-5-10(14)11(17-2)6-9(8)13/h5-7,12,15-16H,3-4H2,1-2H3
InChIKeyRBNCPLIFBFUZHJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.60
Rot. Bonds2

About 2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine

2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine (PubChem CID 116829294) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine.

Molecular Properties

Compound Name2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine
PubChem CID116829294
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine
SMILESCOc1cc(F)c(C2NCCNC2C)cc1F
InChIInChI=1S/C12H16F2N2O/c1-7-12(16-4-3-15-7)8-5-10(14)11(17-2)6-9(8)13/h5-7,12,15-16H,3-4H2,1-2H3
InChIKeyRBNCPLIFBFUZHJ-UHFFFAOYSA-N
XLogP1.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluoro-4-methoxyphenyl)piperazine
CID 116856206
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol
CID 83834988
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3-methylpiperazine
CID 116829251
3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 117386417
2-fluoro-4,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576347
2-(5-bromo-2-fluoro-4-methoxyphenyl)piperidine
CID 84814359
2-(5-chloro-2-fluoro-4-methoxyphenyl)piperidine
CID 84704156
7-(2-fluoro-4,5-dimethoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 19959701
3-(2,4-difluorophenyl)-2-methylpyrrolidine
CID 62354967
ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole
CID 145147315

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine?
The IUPAC name of 2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine (CID 116829294) is 2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine.
What is the SMILES notation for 2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine?
The canonical SMILES for 2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine is COc1cc(F)c(C2NCCNC2C)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine?
The InChIKey is RBNCPLIFBFUZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-7-12(16-4-3-15-7)8-5-10(14)11(17-2)6-9(8)13/h5-7,12,15-16H,3-4H2,1-2H3.
What are the key properties of 2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine?
2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine has a molecular weight of 242.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-methoxyphenyl)-3-methylpiperazine is sourced from PubChem (CID 116829294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).