3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol

C8H13IN4O — CID 164652262

IUPAC3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCNCC1n1nncc1I
InChIInChI=1S/C8H13IN4O/c1-8(14)2-3-10-4-6(8)13-7(9)5-11-12-13/h5-6,10,14H,2-4H2,1H3
InChIKeyOKHCOKUUKFUDSY-UHFFFAOYSA-N
MW308.12 g/mol
LogP0.17
Rot. Bonds1

About 3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol

3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol (PubChem CID 164652262) has the molecular formula C8H13IN4O and a molecular weight of 308.12 g/mol. Its IUPAC name is 3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol
PubChem CID164652262
Molecular FormulaC8H13IN4O
Molecular Weight308.12 g/mol
Exact Mass308.01
IUPAC Name3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCNCC1n1nncc1I
InChIInChI=1S/C8H13IN4O/c1-8(14)2-3-10-4-6(8)13-7(9)5-11-12-13/h5-6,10,14H,2-4H2,1H3
InChIKeyOKHCOKUUKFUDSY-UHFFFAOYSA-N
XLogP0.17
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(Triazol-1-yl)ethylamino]methyl]pentan-3-ol
CID 114493584
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]piperidin-4-ol
CID 164652263

Frequently Asked Questions

What is the IUPAC name of 3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol (CID 164652262) is 3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol is CC1(O)CCNCC1n1nncc1I.
What is the InChIKey of 3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol?
The InChIKey is OKHCOKUUKFUDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IN4O/c1-8(14)2-3-10-4-6(8)13-7(9)5-11-12-13/h5-6,10,14H,2-4H2,1H3.
What are the key properties of 3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol?
3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol has a molecular weight of 308.12 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodotriazol-1-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 164652262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).