1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine

C16H24F2N2 — CID 64859837

IUPAC1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(Cc2ccc(F)cc2F)C(C)CN1
InChIInChI=1S/C16H24F2N2/c1-4-16(5-2)11-20(12(3)9-19-16)10-13-6-7-14(17)8-15(13)18/h6-8,12,19H,4-5,9-11H2,1-3H3
InChIKeyWZBQVWAWEZSMJE-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.32
Rot. Bonds4

About 1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine

1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine (PubChem CID 64859837) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
PubChem CID64859837
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(Cc2ccc(F)cc2F)C(C)CN1
InChIInChI=1S/C16H24F2N2/c1-4-16(5-2)11-20(12(3)9-19-16)10-13-6-7-14(17)8-15(13)18/h6-8,12,19H,4-5,9-11H2,1-3H3
InChIKeyWZBQVWAWEZSMJE-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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]-5,5-diethyl-2-methylpiperazine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine (CID 64859837) is 1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine is CCC1(CC)CN(Cc2ccc(F)cc2F)C(C)CN1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine?
The InChIKey is WZBQVWAWEZSMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-4-16(5-2)11-20(12(3)9-19-16)10-13-6-7-14(17)8-15(13)18/h6-8,12,19H,4-5,9-11H2,1-3H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine?
1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine has a molecular weight of 282.38 g/mol, XLogP of 3.32, 4 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]-5,5-diethyl-2-methylpiperazine is sourced from PubChem (CID 64859837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).