1-(1-iodoazetidin-3-yl)-4-methylpiperazine

C8H16IN3 — CID 152901586

IUPAC1-(1-iodoazetidin-3-yl)-4-methylpiperazine
SMILESCN1CCN(C2CN(I)C2)CC1
InChIInChI=1S/C8H16IN3/c1-10-2-4-11(5-3-10)8-6-12(9)7-8/h8H,2-7H2,1H3
InChIKeyUFLFHIDPEIRZON-UHFFFAOYSA-N
MW281.14 g/mol
LogP0.27
Rot. Bonds1

About 1-(1-iodoazetidin-3-yl)-4-methylpiperazine

1-(1-iodoazetidin-3-yl)-4-methylpiperazine (PubChem CID 152901586) has the molecular formula C8H16IN3 and a molecular weight of 281.14 g/mol. Its IUPAC name is 1-(1-iodoazetidin-3-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1-iodoazetidin-3-yl)-4-methylpiperazine
PubChem CID152901586
Molecular FormulaC8H16IN3
Molecular Weight281.14 g/mol
Exact Mass281.04
IUPAC Name1-(1-iodoazetidin-3-yl)-4-methylpiperazine
SMILESCN1CCN(C2CN(I)C2)CC1
InChIInChI=1S/C8H16IN3/c1-10-2-4-11(5-3-10)8-6-12(9)7-8/h8H,2-7H2,1H3
InChIKeyUFLFHIDPEIRZON-UHFFFAOYSA-N
XLogP0.27
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-iodoazetidin-3-yl)-4-methylpiperazine?
The IUPAC name of 1-(1-iodoazetidin-3-yl)-4-methylpiperazine (CID 152901586) is 1-(1-iodoazetidin-3-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(1-iodoazetidin-3-yl)-4-methylpiperazine?
The canonical SMILES for 1-(1-iodoazetidin-3-yl)-4-methylpiperazine is CN1CCN(C2CN(I)C2)CC1.
What is the InChIKey of 1-(1-iodoazetidin-3-yl)-4-methylpiperazine?
The InChIKey is UFLFHIDPEIRZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16IN3/c1-10-2-4-11(5-3-10)8-6-12(9)7-8/h8H,2-7H2,1H3.
What are the key properties of 1-(1-iodoazetidin-3-yl)-4-methylpiperazine?
1-(1-iodoazetidin-3-yl)-4-methylpiperazine has a molecular weight of 281.14 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodoazetidin-3-yl)-4-methylpiperazine is sourced from PubChem (CID 152901586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).