1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine

C12H16F2N2O — CID 20785247

IUPAC1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine
SMILESCOCC1CN(c2ccc(F)cc2F)CCN1
InChIInChI=1S/C12H16F2N2O/c1-17-8-10-7-16(5-4-15-10)12-3-2-9(13)6-11(12)14/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyXDCZKTWOGVUDAE-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.39
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine

1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine (PubChem CID 20785247) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine
PubChem CID20785247
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine
SMILESCOCC1CN(c2ccc(F)cc2F)CCN1
InChIInChI=1S/C12H16F2N2O/c1-17-8-10-7-16(5-4-15-10)12-3-2-9(13)6-11(12)14/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyXDCZKTWOGVUDAE-UHFFFAOYSA-N
XLogP1.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine (CID 20785247) is 1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine is COCC1CN(c2ccc(F)cc2F)CCN1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine?
The InChIKey is XDCZKTWOGVUDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-17-8-10-7-16(5-4-15-10)12-3-2-9(13)6-11(12)14/h2-3,6,10,15H,4-5,7-8H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine?
1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine has a molecular weight of 242.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(methoxymethyl)piperazine is sourced from PubChem (CID 20785247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).