1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine

C14H20F2N2 — CID 64932182

IUPAC1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(c2cc(F)ccc2F)C(C)CN1
InChIInChI=1S/C14H20F2N2/c1-3-4-12-9-18(10(2)8-17-12)14-7-11(15)5-6-13(14)16/h5-7,10,12,17H,3-4,8-9H2,1-2H3
InChIKeyIKCOSPCVDSXBJN-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.93
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine

1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine (PubChem CID 64932182) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine
PubChem CID64932182
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(c2cc(F)ccc2F)C(C)CN1
InChIInChI=1S/C14H20F2N2/c1-3-4-12-9-18(10(2)8-17-12)14-7-11(15)5-6-13(14)16/h5-7,10,12,17H,3-4,8-9H2,1-2H3
InChIKeyIKCOSPCVDSXBJN-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine (CID 64932182) is 1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine is CCCC1CN(c2cc(F)ccc2F)C(C)CN1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine?
The InChIKey is IKCOSPCVDSXBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-3-4-12-9-18(10(2)8-17-12)14-7-11(15)5-6-13(14)16/h5-7,10,12,17H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine?
1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine has a molecular weight of 254.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine is sourced from PubChem (CID 64932182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).