5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine

C18H38N2 — CID 106027142

IUPAC5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine
SMILESCCCCC(CCC)N1CC(C)(CC)NCC1C(C)C
InChIInChI=1S/C18H38N2/c1-7-10-12-16(11-8-2)20-14-18(6,9-3)19-13-17(20)15(4)5/h15-17,19H,7-14H2,1-6H3
InChIKeyJKHAAXICOZDZPY-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.44
Rot. Bonds8

About 5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine

5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine (PubChem CID 106027142) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine
PubChem CID106027142
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine
SMILESCCCCC(CCC)N1CC(C)(CC)NCC1C(C)C
InChIInChI=1S/C18H38N2/c1-7-10-12-16(11-8-2)20-14-18(6,9-3)19-13-17(20)15(4)5/h15-17,19H,7-14H2,1-6H3
InChIKeyJKHAAXICOZDZPY-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

5-ethyl-5-methyl-1-pentan-3-yl-2-propan-2-ylpiperazine
CID 64931235
5-ethyl-5-methyl-1-(3-methylbutan-2-yl)-2-propan-2-ylpiperazine
CID 64933642
5-ethyl-1-(4-methoxybutan-2-yl)-5-methyl-2-propan-2-ylpiperazine
CID 64939357
5-ethyl-1-(1-methoxypropan-2-yl)-5-methyl-2-propan-2-ylpiperazine
CID 64931976
5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine
CID 106027152
5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327069
1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64946846
5-ethyl-5-methyl-1-(2-methyl-1-thiophen-2-ylpropyl)-2-propan-2-ylpiperazine
CID 64947262
1-heptan-2-yl-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64936101
5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64940459
5-ethyl-1-(1-methoxypentan-2-yl)-2,5-dimethylpiperazine
CID 64939340
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine (CID 106027142) is 5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine is CCCCC(CCC)N1CC(C)(CC)NCC1C(C)C.
What is the InChIKey of 5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine?
The InChIKey is JKHAAXICOZDZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-10-12-16(11-8-2)20-14-18(6,9-3)19-13-17(20)15(4)5/h15-17,19H,7-14H2,1-6H3.
What are the key properties of 5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine?
5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine has a molecular weight of 282.52 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1-octan-4-yl-2-propan-2-ylpiperazine is sourced from PubChem (CID 106027142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).