3-iodo-4-piperidin-1-ylpyridine

C10H13IN2 — CID 45033786

IUPAC3-iodo-4-piperidin-1-ylpyridine
SMILESIc1cnccc1N1CCCCC1
InChIInChI=1S/C10H13IN2/c11-9-8-12-5-4-10(9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKeyKAINRMNKCRKFIA-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.68
Rot. Bonds1

About 3-iodo-4-piperidin-1-ylpyridine

3-iodo-4-piperidin-1-ylpyridine (PubChem CID 45033786) has the molecular formula C10H13IN2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 3-iodo-4-piperidin-1-ylpyridine.

Molecular Properties

Compound Name3-iodo-4-piperidin-1-ylpyridine
PubChem CID45033786
Molecular FormulaC10H13IN2
Molecular Weight288.13 g/mol
Exact Mass288.01
IUPAC Name3-iodo-4-piperidin-1-ylpyridine
SMILESIc1cnccc1N1CCCCC1
InChIInChI=1S/C10H13IN2/c11-9-8-12-5-4-10(9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKeyKAINRMNKCRKFIA-UHFFFAOYSA-N
XLogP2.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-piperidin-1-ylpyridine?
The IUPAC name of 3-iodo-4-piperidin-1-ylpyridine (CID 45033786) is 3-iodo-4-piperidin-1-ylpyridine.
What is the SMILES notation for 3-iodo-4-piperidin-1-ylpyridine?
The canonical SMILES for 3-iodo-4-piperidin-1-ylpyridine is Ic1cnccc1N1CCCCC1.
What is the InChIKey of 3-iodo-4-piperidin-1-ylpyridine?
The InChIKey is KAINRMNKCRKFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2/c11-9-8-12-5-4-10(9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2.
What are the key properties of 3-iodo-4-piperidin-1-ylpyridine?
3-iodo-4-piperidin-1-ylpyridine has a molecular weight of 288.13 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-piperidin-1-ylpyridine is sourced from PubChem (CID 45033786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).