1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine

C12H23N3 — CID 66201803

IUPAC1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine
SMILESCC(C)=CCN1CCN(C2CNC2)CC1
InChIInChI=1S/C12H23N3/c1-11(2)3-4-14-5-7-15(8-6-14)12-9-13-10-12/h3,12-13H,4-10H2,1-2H3
InChIKeyWJYZSOWHPRHZAY-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.54
Rot. Bonds3

About 1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine

1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine (PubChem CID 66201803) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine
PubChem CID66201803
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine
SMILESCC(C)=CCN1CCN(C2CNC2)CC1
InChIInChI=1S/C12H23N3/c1-11(2)3-4-14-5-7-15(8-6-14)12-9-13-10-12/h3,12-13H,4-10H2,1-2H3
InChIKeyWJYZSOWHPRHZAY-UHFFFAOYSA-N
XLogP0.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine (CID 66201803) is 1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine is CC(C)=CCN1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine?
The InChIKey is WJYZSOWHPRHZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-11(2)3-4-14-5-7-15(8-6-14)12-9-13-10-12/h3,12-13H,4-10H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine?
1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine has a molecular weight of 209.34 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(3-methylbut-2-enyl)piperazine is sourced from PubChem (CID 66201803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).