4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol

C8H13IN4O — CID 164652263

IUPAC4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol
SMILESOC1(Cn2nncc2I)CCNCC1
InChIInChI=1S/C8H13IN4O/c9-7-5-11-12-13(7)6-8(14)1-3-10-4-2-8/h5,10,14H,1-4,6H2
InChIKeyGNKUOEPAOFXFHB-UHFFFAOYSA-N
MW308.12 g/mol
LogP-0.00
Rot. Bonds2

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

4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol (PubChem CID 164652263) has the molecular formula C8H13IN4O and a molecular weight of 308.12 g/mol. Its IUPAC name is 4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol
PubChem CID164652263
Molecular FormulaC8H13IN4O
Molecular Weight308.12 g/mol
Exact Mass308.01
IUPAC Name4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol
SMILESOC1(Cn2nncc2I)CCNCC1
InChIInChI=1S/C8H13IN4O/c9-7-5-11-12-13(7)6-8(14)1-3-10-4-2-8/h5,10,14H,1-4,6H2
InChIKeyGNKUOEPAOFXFHB-UHFFFAOYSA-N
XLogP-0.00
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol 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

3-[(1H-1,2,3-triazol-1-yl)methyl]piperidin-3-ol
CID 121552530
3-[[2-(Triazol-1-yl)ethylamino]methyl]pentan-3-ol
CID 114493584
3-[[3-(Triazol-1-yl)propylamino]methyl]pentan-3-ol
CID 114493587
(3S)-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 124707561
(3R)-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 124707869
4-(1H-1,2,3-Triazol-1-ylmethyl)piperidin-4-ol
CID 129982627
4-[(1H-1,2,3-triazol-1-yl)methyl]piperidin-4-ol dihydrochloride
CID 136575642
4-[(5-Iodo-1h-1,2,3-triazol-1-yl)methyl]piperidine
CID 164652255
4-[2-(5-Iodo-1h-1,2,3-triazol-1-yl)ethyl]piperidine
CID 164652260
3-(5-Iodo-1h-1,2,3-triazol-1-yl)-4-methylpiperidin-4-ol
CID 164652262

Frequently Asked Questions

What is the IUPAC name of 4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol (CID 164652263) is 4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol is OC1(Cn2nncc2I)CCNCC1.
What is the InChIKey of 4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol?
The InChIKey is GNKUOEPAOFXFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IN4O/c9-7-5-11-12-13(7)6-8(14)1-3-10-4-2-8/h5,10,14H,1-4,6H2.
What are the key properties of 4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol?
4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol has a molecular weight of 308.12 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-iodotriazol-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 164652263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).