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

C16H24F2N2 — CID 114934587

IUPAC1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine
SMILESCCC1(C)CNC(C)(C)CN1Cc1c(F)cccc1F
InChIInChI=1S/C16H24F2N2/c1-5-16(4)10-19-15(2,3)11-20(16)9-12-13(17)7-6-8-14(12)18/h6-8,19H,5,9-11H2,1-4H3
InChIKeyDCBRMJCMHAWGNY-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.32
Rot. Bonds3

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

1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine (PubChem CID 114934587) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine
PubChem CID114934587
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine
SMILESCCC1(C)CNC(C)(C)CN1Cc1c(F)cccc1F
InChIInChI=1S/C16H24F2N2/c1-5-16(4)10-19-15(2,3)11-20(16)9-12-13(17)7-6-8-14(12)18/h6-8,19H,5,9-11H2,1-4H3
InChIKeyDCBRMJCMHAWGNY-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine (CID 114934587) is 1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine is CCC1(C)CNC(C)(C)CN1Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine?
The InChIKey is DCBRMJCMHAWGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-5-16(4)10-19-15(2,3)11-20(16)9-12-13(17)7-6-8-14(12)18/h6-8,19H,5,9-11H2,1-4H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine?
1-[(2,6-difluorophenyl)methyl]-2-ethyl-2,5,5-trimethylpiperazine has a molecular weight of 282.38 g/mol, XLogP of 3.32, 3 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-ethyl-2,5,5-trimethylpiperazine is sourced from PubChem (CID 114934587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).