1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine

C12H24N2 — CID 107901384

IUPAC1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
SMILESCC(C)=CCN1CCNCC1C(C)C
InChIInChI=1S/C12H24N2/c1-10(2)5-7-14-8-6-13-9-12(14)11(3)4/h5,11-13H,6-9H2,1-4H3
InChIKeyAXFYGPGVJLHHBF-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds3

About 1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine

1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine (PubChem CID 107901384) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
PubChem CID107901384
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
SMILESCC(C)=CCN1CCNCC1C(C)C
InChIInChI=1S/C12H24N2/c1-10(2)5-7-14-8-6-13-9-12(14)11(3)4/h5,11-13H,6-9H2,1-4H3
InChIKeyAXFYGPGVJLHHBF-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
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)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine (CID 107901384) is 1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine is CC(C)=CCN1CCNCC1C(C)C.
What is the InChIKey of 1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine?
The InChIKey is AXFYGPGVJLHHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)5-7-14-8-6-13-9-12(14)11(3)4/h5,11-13H,6-9H2,1-4H3.
What are the key properties of 1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine?
1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 3 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)-2-propan-2-ylpiperazine is sourced from PubChem (CID 107901384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).