4-(iodomethyl)piperidine

C6H12IN — CID 53346620

IUPAC4-(iodomethyl)piperidine
SMILESICC1CCNCC1
InChIInChI=1S/C6H12IN/c7-5-6-1-3-8-4-2-6/h6,8H,1-5H2
InChIKeySDXYNMWHONWNCE-UHFFFAOYSA-N
MW225.07 g/mol
LogP1.42
Rot. Bonds1

About 4-(iodomethyl)piperidine

4-(iodomethyl)piperidine (PubChem CID 53346620) has the molecular formula C6H12IN and a molecular weight of 225.07 g/mol. Its IUPAC name is 4-(iodomethyl)piperidine.

Molecular Properties

Compound Name4-(iodomethyl)piperidine
PubChem CID53346620
Molecular FormulaC6H12IN
Molecular Weight225.07 g/mol
Exact Mass225.00
IUPAC Name4-(iodomethyl)piperidine
SMILESICC1CCNCC1
InChIInChI=1S/C6H12IN/c7-5-6-1-3-8-4-2-6/h6,8H,1-5H2
InChIKeySDXYNMWHONWNCE-UHFFFAOYSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)piperidine?
The IUPAC name of 4-(iodomethyl)piperidine (CID 53346620) is 4-(iodomethyl)piperidine.
What is the SMILES notation for 4-(iodomethyl)piperidine?
The canonical SMILES for 4-(iodomethyl)piperidine is ICC1CCNCC1.
What is the InChIKey of 4-(iodomethyl)piperidine?
The InChIKey is SDXYNMWHONWNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IN/c7-5-6-1-3-8-4-2-6/h6,8H,1-5H2.
What are the key properties of 4-(iodomethyl)piperidine?
4-(iodomethyl)piperidine has a molecular weight of 225.07 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)piperidine is sourced from PubChem (CID 53346620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).