4-(4-iodopyrazol-1-yl)piperidine

C8H12IN3 — CID 53256681

IUPAC4-(4-iodopyrazol-1-yl)piperidine
SMILESIc1cnn(C2CCNCC2)c1
InChIInChI=1S/C8H12IN3/c9-7-5-11-12(6-7)8-1-3-10-4-2-8/h5-6,8,10H,1-4H2
InChIKeyGYYVRUODGBPRHC-UHFFFAOYSA-N
MW277.11 g/mol
LogP1.41
Rot. Bonds1

About 4-(4-iodopyrazol-1-yl)piperidine

4-(4-iodopyrazol-1-yl)piperidine (PubChem CID 53256681) has the molecular formula C8H12IN3 and a molecular weight of 277.11 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)piperidine.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)piperidine
PubChem CID53256681
Molecular FormulaC8H12IN3
Molecular Weight277.11 g/mol
Exact Mass277.01
IUPAC Name4-(4-iodopyrazol-1-yl)piperidine
SMILESIc1cnn(C2CCNCC2)c1
InChIInChI=1S/C8H12IN3/c9-7-5-11-12(6-7)8-1-3-10-4-2-8/h5-6,8,10H,1-4H2
InChIKeyGYYVRUODGBPRHC-UHFFFAOYSA-N
XLogP1.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-iodopyrazol-1-yl)piperidine?
The IUPAC name of 4-(4-iodopyrazol-1-yl)piperidine (CID 53256681) is 4-(4-iodopyrazol-1-yl)piperidine.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)piperidine?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)piperidine is Ic1cnn(C2CCNCC2)c1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)piperidine?
The InChIKey is GYYVRUODGBPRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3/c9-7-5-11-12(6-7)8-1-3-10-4-2-8/h5-6,8,10H,1-4H2.
What are the key properties of 4-(4-iodopyrazol-1-yl)piperidine?
4-(4-iodopyrazol-1-yl)piperidine has a molecular weight of 277.11 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodopyrazol-1-yl)piperidine is sourced from PubChem (CID 53256681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).