2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine

C16H34N2 — CID 64861806

IUPAC2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CC(CC)(CC)NCC1(C)CC
InChIInChI=1S/C16H34N2/c1-7-14(5)11-18-13-16(9-3,10-4)17-12-15(18,6)8-2/h14,17H,7-13H2,1-6H3
InChIKeyKLGSJLFUJHZCAE-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds6

About 2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine

2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine (PubChem CID 64861806) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine.

Molecular Properties

Compound Name2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine
PubChem CID64861806
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CC(CC)(CC)NCC1(C)CC
InChIInChI=1S/C16H34N2/c1-7-14(5)11-18-13-16(9-3,10-4)17-12-15(18,6)8-2/h14,17H,7-13H2,1-6H3
InChIKeyKLGSJLFUJHZCAE-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine?
The IUPAC name of 2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine (CID 64861806) is 2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine.
What is the SMILES notation for 2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine?
The canonical SMILES for 2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine is CCC(C)CN1CC(CC)(CC)NCC1(C)CC.
What is the InChIKey of 2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine?
The InChIKey is KLGSJLFUJHZCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-14(5)11-18-13-16(9-3,10-4)17-12-15(18,6)8-2/h14,17H,7-13H2,1-6H3.
What are the key properties of 2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine?
2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-triethyl-2-methyl-1-(2-methylbutyl)piperazine is sourced from PubChem (CID 64861806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).