1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine

C16H24F2N2 — CID 64845383

IUPAC1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(F)cc2F)C(CC)CN1
InChIInChI=1S/C16H24F2N2/c1-3-5-14-11-20(15(4-2)9-19-14)10-12-6-7-13(17)8-16(12)18/h6-8,14-15,19H,3-5,9-11H2,1-2H3
InChIKeyOYZLYRCIOVXIQN-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.32
Rot. Bonds5

About 1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine

1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine (PubChem CID 64845383) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine
PubChem CID64845383
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine
SMILESCCCC1CN(Cc2ccc(F)cc2F)C(CC)CN1
InChIInChI=1S/C16H24F2N2/c1-3-5-14-11-20(15(4-2)9-19-14)10-12-6-7-13(17)8-16(12)18/h6-8,14-15,19H,3-5,9-11H2,1-2H3
InChIKeyOYZLYRCIOVXIQN-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine (CID 64845383) is 1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine is CCCC1CN(Cc2ccc(F)cc2F)C(CC)CN1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine?
The InChIKey is OYZLYRCIOVXIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-3-5-14-11-20(15(4-2)9-19-14)10-12-6-7-13(17)8-16(12)18/h6-8,14-15,19H,3-5,9-11H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine?
1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine has a molecular weight of 282.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine is sourced from PubChem (CID 64845383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).