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

C11H21N3 — CID 66201806

IUPAC1-(azetidin-3-yl)-4-(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CN1CCN(C2CNC2)CC1
InChIInChI=1S/C11H21N3/c1-10(2)9-13-3-5-14(6-4-13)11-7-12-8-11/h11-12H,1,3-9H2,2H3
InChIKeyMMMBORVCNIZFHL-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.15
Rot. Bonds3

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

1-(azetidin-3-yl)-4-(2-methylprop-2-enyl)piperazine (PubChem CID 66201806) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(2-methylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2-methylprop-2-enyl)piperazine
PubChem CID66201806
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(azetidin-3-yl)-4-(2-methylprop-2-enyl)piperazine
SMILESC=C(C)CN1CCN(C2CNC2)CC1
InChIInChI=1S/C11H21N3/c1-10(2)9-13-3-5-14(6-4-13)11-7-12-8-11/h11-12H,1,3-9H2,2H3
InChIKeyMMMBORVCNIZFHL-UHFFFAOYSA-N
XLogP0.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.15
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-(2-methylprop-2-enyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(2-methylprop-2-enyl)piperazine (CID 66201806) is 1-(azetidin-3-yl)-4-(2-methylprop-2-enyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2-methylprop-2-enyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2-methylprop-2-enyl)piperazine is C=C(C)CN1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(2-methylprop-2-enyl)piperazine?
The InChIKey is MMMBORVCNIZFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2)9-13-3-5-14(6-4-13)11-7-12-8-11/h11-12H,1,3-9H2,2H3.
What are the key properties of 1-(azetidin-3-yl)-4-(2-methylprop-2-enyl)piperazine?
1-(azetidin-3-yl)-4-(2-methylprop-2-enyl)piperazine has a molecular weight of 195.31 g/mol, XLogP of 0.15, 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-(2-methylprop-2-enyl)piperazine is sourced from PubChem (CID 66201806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).