2-tert-butyl-4-ethenyl-1-methylpiperazine

C11H22N2 — CID 126620996

IUPAC2-tert-butyl-4-ethenyl-1-methylpiperazine
SMILESC=CN1CCN(C)C(C(C)(C)C)C1
InChIInChI=1S/C11H22N2/c1-6-13-8-7-12(5)10(9-13)11(2,3)4/h6,10H,1,7-9H2,2-5H3
InChIKeyQHUWOKYZOLBKMU-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.79
Rot. Bonds1

About 2-tert-butyl-4-ethenyl-1-methylpiperazine

2-tert-butyl-4-ethenyl-1-methylpiperazine (PubChem CID 126620996) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-tert-butyl-4-ethenyl-1-methylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-4-ethenyl-1-methylpiperazine
PubChem CID126620996
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-tert-butyl-4-ethenyl-1-methylpiperazine
SMILESC=CN1CCN(C)C(C(C)(C)C)C1
InChIInChI=1S/C11H22N2/c1-6-13-8-7-12(5)10(9-13)11(2,3)4/h6,10H,1,7-9H2,2-5H3
InChIKeyQHUWOKYZOLBKMU-UHFFFAOYSA-N
XLogP1.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butyl-4-ethenylpiperazine
CID 20136833
1-(3,3-Dimethylbutyl)-4-prop-1-en-2-ylpiperazine
CID 58171844
1-(3,3-Dimethylbutyl)-4-propan-2-ylpiperazine
CID 89747557
2-Tert-butyl-1,4-dimethylpiperazine
CID 116856377
1-Ethenyl-2-ethyl-1-methyl-4-propan-2-ylpiperazin-1-ium
CID 123221888
1-Ethenyl-4-propan-2-ylpiperazine
CID 123986290
2-Tert-butyl-4-ethenyl-1-hydroxypiperazine
CID 134338998
2-Tert-butyl-1-methyl-4-propan-2-ylpiperazine
CID 137482015
(2R)-1-ethenyl-2-methyl-4-propan-2-ylpiperazine
CID 139402667
(2R,5S)-1-ethenyl-2,4,5-trimethylpiperazine
CID 139406605
2,2-Dimethylbutane;1-ethenyl-4-ethylpiperazine
CID 142057456
(2R)-4-ethenyl-1,2-dimethylpiperazine
CID 142610317

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-ethenyl-1-methylpiperazine?
The IUPAC name of 2-tert-butyl-4-ethenyl-1-methylpiperazine (CID 126620996) is 2-tert-butyl-4-ethenyl-1-methylpiperazine.
What is the SMILES notation for 2-tert-butyl-4-ethenyl-1-methylpiperazine?
The canonical SMILES for 2-tert-butyl-4-ethenyl-1-methylpiperazine is C=CN1CCN(C)C(C(C)(C)C)C1.
What is the InChIKey of 2-tert-butyl-4-ethenyl-1-methylpiperazine?
The InChIKey is QHUWOKYZOLBKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-13-8-7-12(5)10(9-13)11(2,3)4/h6,10H,1,7-9H2,2-5H3.
What are the key properties of 2-tert-butyl-4-ethenyl-1-methylpiperazine?
2-tert-butyl-4-ethenyl-1-methylpiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-ethenyl-1-methylpiperazine is sourced from PubChem (CID 126620996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).