5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine

C16H34N2 — CID 82925143

IUPAC5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine
SMILESCCC(CC)CN1CC(CC)(CC)NCC1(C)C
InChIInChI=1S/C16H34N2/c1-7-14(8-2)11-18-13-16(9-3,10-4)17-12-15(18,5)6/h14,17H,7-13H2,1-6H3
InChIKeyMLBNDYWDGZVIKD-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds6

About 5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine

5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine (PubChem CID 82925143) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine
PubChem CID82925143
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine
SMILESCCC(CC)CN1CC(CC)(CC)NCC1(C)C
InChIInChI=1S/C16H34N2/c1-7-14(8-2)11-18-13-16(9-3,10-4)17-12-15(18,5)6/h14,17H,7-13H2,1-6H3
InChIKeyMLBNDYWDGZVIKD-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 5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine?
The IUPAC name of 5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine (CID 82925143) is 5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine?
The canonical SMILES for 5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine is CCC(CC)CN1CC(CC)(CC)NCC1(C)C.
What is the InChIKey of 5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine?
The InChIKey is MLBNDYWDGZVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-14(8-2)11-18-13-16(9-3,10-4)17-12-15(18,5)6/h14,17H,7-13H2,1-6H3.
What are the key properties of 5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine?
5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine 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 5,5-diethyl-1-(2-ethylbutyl)-2,2-dimethylpiperazine is sourced from PubChem (CID 82925143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).