1,1-dimethylpiperidin-1-ium iodide

C7H16IN — CID 18742

IUPAC1,1-dimethylpiperidin-1-ium iodide
SMILESC[N+]1(C)CCCCC1.[I-]
InChIInChI=1S/C7H16N.HI/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1
InChIKeyHSQOPVUSHBNOOL-UHFFFAOYSA-M
MW241.12 g/mol
LogP-1.75
Rot. Bonds

About 1,1-dimethylpiperidin-1-ium iodide

1,1-dimethylpiperidin-1-ium iodide (PubChem CID 18742) has the molecular formula C7H16IN and a molecular weight of 241.12 g/mol. Its IUPAC name is 1,1-dimethylpiperidin-1-ium iodide.

Molecular Properties

Compound Name1,1-dimethylpiperidin-1-ium iodide
PubChem CID18742
Molecular FormulaC7H16IN
Molecular Weight241.12 g/mol
Exact Mass241.03
IUPAC Name1,1-dimethylpiperidin-1-ium iodide
SMILESC[N+]1(C)CCCCC1.[I-]
InChIInChI=1S/C7H16N.HI/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1
InChIKeyHSQOPVUSHBNOOL-UHFFFAOYSA-M
XLogP-1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 5-1.75
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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Related Compounds

Mepiquat Chloride
CID 62781
N-Methylpiperidine
CID 12291
N-Ethylpiperidine
CID 13007
1-Propylpiperidine
CID 21644
Mepiquat
CID 18743
1-Ethyl-1-methylpiperidinium iodide
CID 20153
1-Butyl-1-methylpiperidinium bromide
CID 19838382
1-Methyl-1-propylpiperidinium iodide
CID 60196387
1-Pentylpiperidine
CID 25153
1-Butyl-1-methylpiperidinium iodide
CID 60196384
1-Butylpiperidine
CID 78654
Piperidine, 1-methyl-, hydrochloride (1:1)
CID 205378

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylpiperidin-1-ium iodide?
The IUPAC name of 1,1-dimethylpiperidin-1-ium iodide (CID 18742) is 1,1-dimethylpiperidin-1-ium iodide.
What is the SMILES notation for 1,1-dimethylpiperidin-1-ium iodide?
The canonical SMILES for 1,1-dimethylpiperidin-1-ium iodide is C[N+]1(C)CCCCC1.[I-].
What is the InChIKey of 1,1-dimethylpiperidin-1-ium iodide?
The InChIKey is HSQOPVUSHBNOOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16N.HI/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1,1-dimethylpiperidin-1-ium iodide?
1,1-dimethylpiperidin-1-ium iodide has a molecular weight of 241.12 g/mol, XLogP of -1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylpiperidin-1-ium iodide is sourced from PubChem (CID 18742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).