(2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate

C13H16F2N2O2 — CID 22219951

IUPAC(2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate
SMILESCC1CNCCN1C(=O)OCc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O2/c1-9-7-16-5-6-17(9)13(18)19-8-10-11(14)3-2-4-12(10)15/h2-4,9,16H,5-8H2,1H3
InChIKeyYYAOLVHFHNJGTM-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.90
Rot. Bonds2

About (2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate

(2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate (PubChem CID 22219951) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate
PubChem CID22219951
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name(2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate
SMILESCC1CNCCN1C(=O)OCc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O2/c1-9-7-16-5-6-17(9)13(18)19-8-10-11(14)3-2-4-12(10)15/h2-4,9,16H,5-8H2,1H3
InChIKeyYYAOLVHFHNJGTM-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate?
The IUPAC name of (2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate (CID 22219951) is (2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate.
What is the SMILES notation for (2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate?
The canonical SMILES for (2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate is CC1CNCCN1C(=O)OCc1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate?
The InChIKey is YYAOLVHFHNJGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-9-7-16-5-6-17(9)13(18)19-8-10-11(14)3-2-4-12(10)15/h2-4,9,16H,5-8H2,1H3.
What are the key properties of (2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate?
(2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)methyl 2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 22219951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).