4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide

C11H24IN — CID 71352793

IUPAC4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide
SMILESCC(C)(C)C1CC[N+](C)(C)CC1.[I-]
InChIInChI=1S/C11H24N.HI/c1-11(2,3)10-6-8-12(4,5)9-7-10;/h10H,6-9H2,1-5H3;1H/q+1;/p-1
InChIKeyGYJFSEUIHZNBJC-UHFFFAOYSA-M
MW297.22 g/mol
LogP-0.48
Rot. Bonds

About 4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide

4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide (PubChem CID 71352793) has the molecular formula C11H24IN and a molecular weight of 297.22 g/mol. Its IUPAC name is 4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide.

Molecular Properties

Compound Name4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide
PubChem CID71352793
Molecular FormulaC11H24IN
Molecular Weight297.22 g/mol
Exact Mass297.10
IUPAC Name4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide
SMILESCC(C)(C)C1CC[N+](C)(C)CC1.[I-]
InChIInChI=1S/C11H24N.HI/c1-11(2,3)10-6-8-12(4,5)9-7-10;/h10H,6-9H2,1-5H3;1H/q+1;/p-1
InChIKeyGYJFSEUIHZNBJC-UHFFFAOYSA-M
XLogP-0.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide?
The IUPAC name of 4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide (CID 71352793) is 4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide.
What is the SMILES notation for 4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide?
The canonical SMILES for 4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide is CC(C)(C)C1CC[N+](C)(C)CC1.[I-].
What is the InChIKey of 4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide?
The InChIKey is GYJFSEUIHZNBJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H24N.HI/c1-11(2,3)10-6-8-12(4,5)9-7-10;/h10H,6-9H2,1-5H3;1H/q+1;/p-1.
What are the key properties of 4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide?
4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide has a molecular weight of 297.22 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,1-dimethylpiperidin-1-ium iodide is sourced from PubChem (CID 71352793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).