3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine

C12H26N2 — CID 64925996

IUPAC3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine
SMILESCCC1(C)CN(C(C)(C)CC)CCN1
InChIInChI=1S/C12H26N2/c1-6-11(3,4)14-9-8-13-12(5,7-2)10-14/h13H,6-10H2,1-5H3
InChIKeyFLNIODLIPOFBIZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds3

About 3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine

3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine (PubChem CID 64925996) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine
PubChem CID64925996
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine
SMILESCCC1(C)CN(C(C)(C)CC)CCN1
InChIInChI=1S/C12H26N2/c1-6-11(3,4)14-9-8-13-12(5,7-2)10-14/h13H,6-10H2,1-5H3
InChIKeyFLNIODLIPOFBIZ-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine?
The IUPAC name of 3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine (CID 64925996) is 3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine.
What is the SMILES notation for 3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine?
The canonical SMILES for 3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine is CCC1(C)CN(C(C)(C)CC)CCN1.
What is the InChIKey of 3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine?
The InChIKey is FLNIODLIPOFBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-11(3,4)14-9-8-13-12(5,7-2)10-14/h13H,6-10H2,1-5H3.
What are the key properties of 3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine?
3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(2-methylbutan-2-yl)piperazine is sourced from PubChem (CID 64925996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).