2-(2-methylprop-2-enyl)piperazine

C8H16N2 — CID 54301433

IUPAC2-(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CC1CNCCN1
InChIInChI=1S/C8H16N2/c1-7(2)5-8-6-9-3-4-10-8/h8-10H,1,3-6H2,2H3
InChIKeyZWQSHLHYNAXYTJ-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.51
Rot. Bonds2

About 2-(2-methylprop-2-enyl)piperazine

2-(2-methylprop-2-enyl)piperazine (PubChem CID 54301433) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)piperazine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)piperazine
PubChem CID54301433
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CC1CNCCN1
InChIInChI=1S/C8H16N2/c1-7(2)5-8-6-9-3-4-10-8/h8-10H,1,3-6H2,2H3
InChIKeyZWQSHLHYNAXYTJ-UHFFFAOYSA-N
XLogP0.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
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 2-(2-methylprop-2-enyl)piperazine?
The IUPAC name of 2-(2-methylprop-2-enyl)piperazine (CID 54301433) is 2-(2-methylprop-2-enyl)piperazine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)piperazine?
The canonical SMILES for 2-(2-methylprop-2-enyl)piperazine is C=C(C)CC1CNCCN1.
What is the InChIKey of 2-(2-methylprop-2-enyl)piperazine?
The InChIKey is ZWQSHLHYNAXYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)5-8-6-9-3-4-10-8/h8-10H,1,3-6H2,2H3.
What are the key properties of 2-(2-methylprop-2-enyl)piperazine?
2-(2-methylprop-2-enyl)piperazine has a molecular weight of 140.23 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)piperazine is sourced from PubChem (CID 54301433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).