4-[2-(5-iodotriazol-1-yl)ethyl]piperidine

C9H15IN4 — CID 164652260

IUPAC4-[2-(5-iodotriazol-1-yl)ethyl]piperidine
SMILESIc1cnnn1CCC1CCNCC1
InChIInChI=1S/C9H15IN4/c10-9-7-12-13-14(9)6-3-8-1-4-11-5-2-8/h7-8,11H,1-6H2
InChIKeyJZLPCMMYLALKEJ-UHFFFAOYSA-N
MW306.15 g/mol
LogP1.27
Rot. Bonds3

About 4-[2-(5-iodotriazol-1-yl)ethyl]piperidine

4-[2-(5-iodotriazol-1-yl)ethyl]piperidine (PubChem CID 164652260) has the molecular formula C9H15IN4 and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-[2-(5-iodotriazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(5-iodotriazol-1-yl)ethyl]piperidine
PubChem CID164652260
Molecular FormulaC9H15IN4
Molecular Weight306.15 g/mol
Exact Mass306.03
IUPAC Name4-[2-(5-iodotriazol-1-yl)ethyl]piperidine
SMILESIc1cnnn1CCC1CCNCC1
InChIInChI=1S/C9H15IN4/c10-9-7-12-13-14(9)6-3-8-1-4-11-5-2-8/h7-8,11H,1-6H2
InChIKeyJZLPCMMYLALKEJ-UHFFFAOYSA-N
XLogP1.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-[2-(5-iodotriazol-1-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(5-iodotriazol-1-yl)ethyl]piperidine (CID 164652260) is 4-[2-(5-iodotriazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(5-iodotriazol-1-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(5-iodotriazol-1-yl)ethyl]piperidine is Ic1cnnn1CCC1CCNCC1.
What is the InChIKey of 4-[2-(5-iodotriazol-1-yl)ethyl]piperidine?
The InChIKey is JZLPCMMYLALKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IN4/c10-9-7-12-13-14(9)6-3-8-1-4-11-5-2-8/h7-8,11H,1-6H2.
What are the key properties of 4-[2-(5-iodotriazol-1-yl)ethyl]piperidine?
4-[2-(5-iodotriazol-1-yl)ethyl]piperidine has a molecular weight of 306.15 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-iodotriazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 164652260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).