1-(3-methylbut-2-enyl)piperazine

C9H18N2 — CID 10441904

IUPAC1-(3-methylbut-2-enyl)piperazine
SMILESCC(C)=CCN1CCNCC1
InChIInChI=1S/C9H18N2/c1-9(2)3-6-11-7-4-10-5-8-11/h3,10H,4-8H2,1-2H3
InChIKeyPMDANHXSGXGFND-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds2

About 1-(3-methylbut-2-enyl)piperazine

1-(3-methylbut-2-enyl)piperazine (PubChem CID 10441904) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)piperazine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)piperazine
PubChem CID10441904
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-(3-methylbut-2-enyl)piperazine
SMILESCC(C)=CCN1CCNCC1
InChIInChI=1S/C9H18N2/c1-9(2)3-6-11-7-4-10-5-8-11/h3,10H,4-8H2,1-2H3
InChIKeyPMDANHXSGXGFND-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
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-(3-methylbut-2-enyl)piperazine?
The IUPAC name of 1-(3-methylbut-2-enyl)piperazine (CID 10441904) is 1-(3-methylbut-2-enyl)piperazine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)piperazine?
The canonical SMILES for 1-(3-methylbut-2-enyl)piperazine is CC(C)=CCN1CCNCC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)piperazine?
The InChIKey is PMDANHXSGXGFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2)3-6-11-7-4-10-5-8-11/h3,10H,4-8H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)piperazine?
1-(3-methylbut-2-enyl)piperazine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)piperazine is sourced from PubChem (CID 10441904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).