1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine

C20H39F3N2 — CID 143149531

IUPAC1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine
SMILESCN1CCN(C(C)(C)CC(C)(C)C(C)(C)CC(C)(C)C(F)(F)F)CC1
InChIInChI=1S/C20H39F3N2/c1-16(2,14-18(5,6)20(21,22)23)17(3,4)15-19(7,8)25-12-10-24(9)11-13-25/h10-15H2,1-9H3
InChIKeyWACGRNAUAUJTMD-UHFFFAOYSA-N
MW364.54 g/mol
LogP5.43
Rot. Bonds6

About 1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine

1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine (PubChem CID 143149531) has the molecular formula C20H39F3N2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine
PubChem CID143149531
Molecular FormulaC20H39F3N2
Molecular Weight364.54 g/mol
Exact Mass364.31
IUPAC Name1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine
SMILESCN1CCN(C(C)(C)CC(C)(C)C(C)(C)CC(C)(C)C(F)(F)F)CC1
InChIInChI=1S/C20H39F3N2/c1-16(2,14-18(5,6)20(21,22)23)17(3,4)15-19(7,8)25-12-10-24(9)11-13-25/h10-15H2,1-9H3
InChIKeyWACGRNAUAUJTMD-UHFFFAOYSA-N
XLogP5.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.54
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine?
The IUPAC name of 1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine (CID 143149531) is 1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine?
The canonical SMILES for 1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine is CN1CCN(C(C)(C)CC(C)(C)C(C)(C)CC(C)(C)C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine?
The InChIKey is WACGRNAUAUJTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39F3N2/c1-16(2,14-18(5,6)20(21,22)23)17(3,4)15-19(7,8)25-12-10-24(9)11-13-25/h10-15H2,1-9H3.
What are the key properties of 1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine?
1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine has a molecular weight of 364.54 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(8,8,8-trifluoro-2,4,4,5,5,7,7-heptamethyloctan-2-yl)piperazine is sourced from PubChem (CID 143149531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).