5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine

C17H36N2 — CID 102908491

IUPAC5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
SMILESCCC1CN(CC(C(C)C)C(C)C)C(C(C)C)CN1
InChIInChI=1S/C17H36N2/c1-8-15-10-19(17(9-18-15)14(6)7)11-16(12(2)3)13(4)5/h12-18H,8-11H2,1-7H3
InChIKeyIIPCOOHQLCUDGR-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.62
Rot. Bonds6

About 5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine

5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine (PubChem CID 102908491) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
PubChem CID102908491
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
SMILESCCC1CN(CC(C(C)C)C(C)C)C(C(C)C)CN1
InChIInChI=1S/C17H36N2/c1-8-15-10-19(17(9-18-15)14(6)7)11-16(12(2)3)13(4)5/h12-18H,8-11H2,1-7H3
InChIKeyIIPCOOHQLCUDGR-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674
2-butan-2-yl-1,5-diethylpiperazine
CID 64842903
5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine
CID 113488310
5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008717
5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
CID 64841740
5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106732978
5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 114516829
5-ethyl-1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64948246
5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
CID 64942232
5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706
1-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 114934592
1-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 106043817

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine (CID 102908491) is 5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine is CCC1CN(CC(C(C)C)C(C)C)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine?
The InChIKey is IIPCOOHQLCUDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-8-15-10-19(17(9-18-15)14(6)7)11-16(12(2)3)13(4)5/h12-18H,8-11H2,1-7H3.
What are the key properties of 5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine?
5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine has a molecular weight of 268.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 102908491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).