1-(2,3-dimethylbut-2-enyl)piperazine

C10H20N2 — CID 20521849

IUPAC1-(2,3-dimethylbut-2-enyl)piperazine
SMILESCC(C)=C(C)CN1CCNCC1
InChIInChI=1S/C10H20N2/c1-9(2)10(3)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeyGYMXWAWEWVRWPE-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds2

About 1-(2,3-dimethylbut-2-enyl)piperazine

1-(2,3-dimethylbut-2-enyl)piperazine (PubChem CID 20521849) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(2,3-dimethylbut-2-enyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylbut-2-enyl)piperazine
PubChem CID20521849
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(2,3-dimethylbut-2-enyl)piperazine
SMILESCC(C)=C(C)CN1CCNCC1
InChIInChI=1S/C10H20N2/c1-9(2)10(3)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3
InChIKeyGYMXWAWEWVRWPE-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbut-2-enyl)piperazine?
The IUPAC name of 1-(2,3-dimethylbut-2-enyl)piperazine (CID 20521849) is 1-(2,3-dimethylbut-2-enyl)piperazine.
What is the SMILES notation for 1-(2,3-dimethylbut-2-enyl)piperazine?
The canonical SMILES for 1-(2,3-dimethylbut-2-enyl)piperazine is CC(C)=C(C)CN1CCNCC1.
What is the InChIKey of 1-(2,3-dimethylbut-2-enyl)piperazine?
The InChIKey is GYMXWAWEWVRWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)10(3)8-12-6-4-11-5-7-12/h11H,4-8H2,1-3H3.
What are the key properties of 1-(2,3-dimethylbut-2-enyl)piperazine?
1-(2,3-dimethylbut-2-enyl)piperazine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbut-2-enyl)piperazine is sourced from PubChem (CID 20521849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).