1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine

C17H26F2N2 — CID 114934626

IUPAC1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine
SMILESCCC1CNC(CC)(CC)CN1Cc1c(F)cccc1F
InChIInChI=1S/C17H26F2N2/c1-4-13-10-20-17(5-2,6-3)12-21(13)11-14-15(18)8-7-9-16(14)19/h7-9,13,20H,4-6,10-12H2,1-3H3
InChIKeyNHYVXUWKRNYYCS-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.71
Rot. Bonds5

About 1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine

1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine (PubChem CID 114934626) has the molecular formula C17H26F2N2 and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine
PubChem CID114934626
Molecular FormulaC17H26F2N2
Molecular Weight296.40 g/mol
Exact Mass296.21
IUPAC Name1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine
SMILESCCC1CNC(CC)(CC)CN1Cc1c(F)cccc1F
InChIInChI=1S/C17H26F2N2/c1-4-13-10-20-17(5-2,6-3)12-21(13)11-14-15(18)8-7-9-16(14)19/h7-9,13,20H,4-6,10-12H2,1-3H3
InChIKeyNHYVXUWKRNYYCS-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine (CID 114934626) is 1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine is CCC1CNC(CC)(CC)CN1Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine?
The InChIKey is NHYVXUWKRNYYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-4-13-10-20-17(5-2,6-3)12-21(13)11-14-15(18)8-7-9-16(14)19/h7-9,13,20H,4-6,10-12H2,1-3H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine?
1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine has a molecular weight of 296.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-2,5,5-triethylpiperazine is sourced from PubChem (CID 114934626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).