1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium

C13H28N+ — CID 20644247

IUPAC1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium
SMILESCC1(C)CC[N+](C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C13H28N/c1-11(2)9-10-14(7,8)13(5,6)12(11,3)4/h9-10H2,1-8H3/q+1
InChIKeyPTWHKOWCXZZEDQ-UHFFFAOYSA-N
MW198.37 g/mol
LogP3.30
Rot. Bonds

About 1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium

1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium (PubChem CID 20644247) has the molecular formula C13H28N+ and a molecular weight of 198.37 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium
PubChem CID20644247
Molecular FormulaC13H28N+
Molecular Weight198.37 g/mol
Exact Mass198.22
IUPAC Name1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium
SMILESCC1(C)CC[N+](C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C13H28N/c1-11(2)9-10-14(7,8)13(5,6)12(11,3)4/h9-10H2,1-8H3/q+1
InChIKeyPTWHKOWCXZZEDQ-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3,3-Trimethylpiperidine
CID 12413605
Piperidine, 1,3,3,5,5-pentamethyl-
CID 13700390
1,4,4-Trimethylpiperidine
CID 136794
Piperidine, 1-(1-methylcyclopentyl)-, hydrochloride
CID 201004
4-Tert-butyl-1-ethylpiperidine
CID 287952
Piperidine, 1,2,2,4-tetramethyl-
CID 23423757
Piperidine, 4-(1,1-dimethylethyl)-1-methyl-
CID 435047
1-Ethyl-3,3-dimethylpiperidine
CID 21606938
5-Fluoro-1,2,2,3,3-pentamethylpiperidine
CID 176438888
Piperidine, 1,2,5,5-tetramethyl-
CID 12172229
4-Tert-butyl-1-propan-2-ylpiperidine
CID 12722193
1,4-Ditert-butylpiperidine
CID 12722194

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium?
The IUPAC name of 1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium (CID 20644247) is 1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium?
The canonical SMILES for 1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium is CC1(C)CC[N+](C)(C)C(C)(C)C1(C)C.
What is the InChIKey of 1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium?
The InChIKey is PTWHKOWCXZZEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N/c1-11(2)9-10-14(7,8)13(5,6)12(11,3)4/h9-10H2,1-8H3/q+1.
What are the key properties of 1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium?
1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium has a molecular weight of 198.37 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octamethylpiperidin-1-ium is sourced from PubChem (CID 20644247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).