5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine

C13H28N2 — CID 64843133

IUPAC5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CC(CC)NCC1(C)C
InChIInChI=1S/C13H28N2/c1-6-11(3)8-15-9-12(7-2)14-10-13(15,4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyIBCACRABRSTNBX-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds4

About 5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine

5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine (PubChem CID 64843133) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine.

Molecular Properties

Compound Name5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine
PubChem CID64843133
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine
SMILESCCC(C)CN1CC(CC)NCC1(C)C
InChIInChI=1S/C13H28N2/c1-6-11(3)8-15-9-12(7-2)14-10-13(15,4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyIBCACRABRSTNBX-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(2-methylbutyl)-5-propan-2-ylpiperazine
CID 64840227
1-(2,2-difluoroethyl)-5-ethyl-2,2-dimethylpiperazine
CID 64842161
5-tert-butyl-2,2-dimethyl-1-(2-methylbutyl)piperazine
CID 64842629
5-ethyl-1-(2-ethylhexyl)-2,2-dimethylpiperazine
CID 64843328
2,2-dimethyl-1-(2-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64849914
2,2-dimethyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64838610
2-ethyl-2-methyl-1-(2-methylbutyl)-5-propylpiperazine
CID 64838038
5-ethyl-2,2-dimethyl-1-pentylpiperazine
CID 64843523
2,2-dimethyl-1-(2-methylbutyl)piperazine
CID 63594730
5-butan-2-yl-1-(2,2-difluoroethyl)-2,2-dimethylpiperazine
CID 64849409
2-cyclopropyl-2,5-dimethyl-1-(2-methylbutyl)piperazine
CID 64844970
5-butan-2-yl-2-ethyl-2-methyl-1-(2-methylbutyl)piperazine
CID 64848260

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine?
The IUPAC name of 5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine (CID 64843133) is 5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine.
What is the SMILES notation for 5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine?
The canonical SMILES for 5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine is CCC(C)CN1CC(CC)NCC1(C)C.
What is the InChIKey of 5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine?
The InChIKey is IBCACRABRSTNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-11(3)8-15-9-12(7-2)14-10-13(15,4)5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine?
5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2-dimethyl-1-(2-methylbutyl)piperazine is sourced from PubChem (CID 64843133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).