3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine

C11H22N2O — CID 89257050

IUPAC3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine
SMILESC=C(OC(C)(C)C)N1CCNC(C)C1
InChIInChI=1S/C11H22N2O/c1-9-8-13(7-6-12-9)10(2)14-11(3,4)5/h9,12H,2,6-8H2,1,3-5H3
InChIKeyIUVVQCMVQHJRNU-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.57
Rot. Bonds2

About 3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine

3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine (PubChem CID 89257050) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine
PubChem CID89257050
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine
SMILESC=C(OC(C)(C)C)N1CCNC(C)C1
InChIInChI=1S/C11H22N2O/c1-9-8-13(7-6-12-9)10(2)14-11(3,4)5/h9,12H,2,6-8H2,1,3-5H3
InChIKeyIUVVQCMVQHJRNU-UHFFFAOYSA-N
XLogP1.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine?
The IUPAC name of 3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine (CID 89257050) is 3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine.
What is the SMILES notation for 3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine?
The canonical SMILES for 3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine is C=C(OC(C)(C)C)N1CCNC(C)C1.
What is the InChIKey of 3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine?
The InChIKey is IUVVQCMVQHJRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-8-13(7-6-12-9)10(2)14-11(3,4)5/h9,12H,2,6-8H2,1,3-5H3.
What are the key properties of 3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine?
3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine has a molecular weight of 198.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazine is sourced from PubChem (CID 89257050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).