5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine

C18H36N2 — CID 64942232

IUPAC5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
SMILESCCC1CN(CCC2CCC(C)CC2)C(C(C)C)CN1
InChIInChI=1S/C18H36N2/c1-5-17-13-20(18(12-19-17)14(2)3)11-10-16-8-6-15(4)7-9-16/h14-19H,5-13H2,1-4H3
InChIKeyKJLNPTVVDZEFPB-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds5

About 5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine

5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine (PubChem CID 64942232) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
PubChem CID64942232
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
SMILESCCC1CN(CCC2CCC(C)CC2)C(C(C)C)CN1
InChIInChI=1S/C18H36N2/c1-5-17-13-20(18(12-19-17)14(2)3)11-10-16-8-6-15(4)7-9-16/h14-19H,5-13H2,1-4H3
InChIKeyKJLNPTVVDZEFPB-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 114516829
5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674
1-(3,3-dimethylbutyl)-2-propan-2-yl-5-propylpiperazine
CID 64838194
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
5,5-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
CID 64941846
5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
CID 102908491
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
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-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64948246
2-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine (CID 64942232) is 5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine is CCC1CN(CCC2CCC(C)CC2)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine?
The InChIKey is KJLNPTVVDZEFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-17-13-20(18(12-19-17)14(2)3)11-10-16-8-6-15(4)7-9-16/h14-19H,5-13H2,1-4H3.
What are the key properties of 5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine?
5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64942232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).