4-[(5-iodotriazol-1-yl)methyl]piperidine

C8H13IN4 — CID 164652255

IUPAC4-[(5-iodotriazol-1-yl)methyl]piperidine
SMILESIc1cnnn1CC1CCNCC1
InChIInChI=1S/C8H13IN4/c9-8-5-11-12-13(8)6-7-1-3-10-4-2-7/h5,7,10H,1-4,6H2
InChIKeyWBGUUSPELMNCFX-UHFFFAOYSA-N
MW292.12 g/mol
LogP0.88
Rot. Bonds2

About 4-[(5-iodotriazol-1-yl)methyl]piperidine

4-[(5-iodotriazol-1-yl)methyl]piperidine (PubChem CID 164652255) has the molecular formula C8H13IN4 and a molecular weight of 292.12 g/mol. Its IUPAC name is 4-[(5-iodotriazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5-iodotriazol-1-yl)methyl]piperidine
PubChem CID164652255
Molecular FormulaC8H13IN4
Molecular Weight292.12 g/mol
Exact Mass292.02
IUPAC Name4-[(5-iodotriazol-1-yl)methyl]piperidine
SMILESIc1cnnn1CC1CCNCC1
InChIInChI=1S/C8H13IN4/c9-8-5-11-12-13(8)6-7-1-3-10-4-2-7/h5,7,10H,1-4,6H2
InChIKeyWBGUUSPELMNCFX-UHFFFAOYSA-N
XLogP0.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(5-iodotriazol-1-yl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-iodo-1H-1,2,3-triazol-1-yl)piperidine
CID 122164199
4-(1H-1,2,3-triazol-1-ylmethyl)piperidine
CID 68997050
3-(1H-1,2,3-triazol-1-ylmethyl)piperidine
CID 71756951
4-[(1H-1,2,3-triazol-1-yl)methyl]piperidine hydrochloride
CID 71757090
3-(5-iodo-1H-1,2,3-triazol-1-yl)piperidine dihydrochloride
CID 137838129
4-[2-(Triazol-1-yl)ethyl]piperidine
CID 18928776
(1R,5S)-6-(triazol-1-ylmethyl)-3-azabicyclo[3.1.0]hexane
CID 67987549
4-[(2H-1,2,3-Triazol-2-yl)methyl]piperidine
CID 68998723
(3R,4S,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine
CID 90290397
(3R,4R,5S)-5-methyl-4-(triazol-1-yl)piperidin-3-amine
CID 90290402
1-[{3-(1H-1,2,3-triazol-1-yl)propyl}piperidin-4-yl]methanamine
CID 117842510
1-[{3-(1H-1,2,3-triazol-1-yl)propyl}piperidin-4-yl]methanamine hydrochloride
CID 121361380

Frequently Asked Questions

What is the IUPAC name of 4-[(5-iodotriazol-1-yl)methyl]piperidine?
The IUPAC name of 4-[(5-iodotriazol-1-yl)methyl]piperidine (CID 164652255) is 4-[(5-iodotriazol-1-yl)methyl]piperidine.
What is the SMILES notation for 4-[(5-iodotriazol-1-yl)methyl]piperidine?
The canonical SMILES for 4-[(5-iodotriazol-1-yl)methyl]piperidine is Ic1cnnn1CC1CCNCC1.
What is the InChIKey of 4-[(5-iodotriazol-1-yl)methyl]piperidine?
The InChIKey is WBGUUSPELMNCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IN4/c9-8-5-11-12-13(8)6-7-1-3-10-4-2-7/h5,7,10H,1-4,6H2.
What are the key properties of 4-[(5-iodotriazol-1-yl)methyl]piperidine?
4-[(5-iodotriazol-1-yl)methyl]piperidine has a molecular weight of 292.12 g/mol, XLogP of 0.88, 2 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)methyl]piperidine is sourced from PubChem (CID 164652255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).