4-(5-iodotriazol-1-yl)piperidine

C7H11IN4 — CID 122164199

IUPAC4-(5-iodotriazol-1-yl)piperidine
SMILESIc1cnnn1C1CCNCC1
InChIInChI=1S/C7H11IN4/c8-7-5-10-11-12(7)6-1-3-9-4-2-6/h5-6,9H,1-4H2
InChIKeyLPMQXUFRYRUIMY-UHFFFAOYSA-N
MW278.10 g/mol
LogP0.81
Rot. Bonds1

About 4-(5-iodotriazol-1-yl)piperidine

4-(5-iodotriazol-1-yl)piperidine (PubChem CID 122164199) has the molecular formula C7H11IN4 and a molecular weight of 278.10 g/mol. Its IUPAC name is 4-(5-iodotriazol-1-yl)piperidine.

Molecular Properties

Compound Name4-(5-iodotriazol-1-yl)piperidine
PubChem CID122164199
Molecular FormulaC7H11IN4
Molecular Weight278.10 g/mol
Exact Mass278.00
IUPAC Name4-(5-iodotriazol-1-yl)piperidine
SMILESIc1cnnn1C1CCNCC1
InChIInChI=1S/C7H11IN4/c8-7-5-10-11-12(7)6-1-3-9-4-2-6/h5-6,9H,1-4H2
InChIKeyLPMQXUFRYRUIMY-UHFFFAOYSA-N
XLogP0.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-iodotriazol-1-yl)piperidine?
The IUPAC name of 4-(5-iodotriazol-1-yl)piperidine (CID 122164199) is 4-(5-iodotriazol-1-yl)piperidine.
What is the SMILES notation for 4-(5-iodotriazol-1-yl)piperidine?
The canonical SMILES for 4-(5-iodotriazol-1-yl)piperidine is Ic1cnnn1C1CCNCC1.
What is the InChIKey of 4-(5-iodotriazol-1-yl)piperidine?
The InChIKey is LPMQXUFRYRUIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN4/c8-7-5-10-11-12(7)6-1-3-9-4-2-6/h5-6,9H,1-4H2.
What are the key properties of 4-(5-iodotriazol-1-yl)piperidine?
4-(5-iodotriazol-1-yl)piperidine has a molecular weight of 278.10 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodotriazol-1-yl)piperidine is sourced from PubChem (CID 122164199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).