1,1,2,3,4,5,6-heptamethylpiperidin-1-ium

C12H26N+ — CID 59866555

IUPAC1,1,2,3,4,5,6-heptamethylpiperidin-1-ium
SMILESCC1C(C)C(C)[N+](C)(C)C(C)C1C
InChIInChI=1S/C12H26N/c1-8-9(2)11(4)13(6,7)12(5)10(8)3/h8-12H,1-7H3/q+1
InChIKeyIHOCJSZCDNVSKT-UHFFFAOYSA-N
MW184.35 g/mol
LogP2.76
Rot. Bonds

About 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium

1,1,2,3,4,5,6-heptamethylpiperidin-1-ium (PubChem CID 59866555) has the molecular formula C12H26N+ and a molecular weight of 184.35 g/mol. Its IUPAC name is 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium.

Molecular Properties

Compound Name1,1,2,3,4,5,6-heptamethylpiperidin-1-ium
PubChem CID59866555
Molecular FormulaC12H26N+
Molecular Weight184.35 g/mol
Exact Mass184.21
IUPAC Name1,1,2,3,4,5,6-heptamethylpiperidin-1-ium
SMILESCC1C(C)C(C)[N+](C)(C)C(C)C1C
InChIInChI=1S/C12H26N/c1-8-9(2)11(4)13(6,7)12(5)10(8)3/h8-12H,1-7H3/q+1
InChIKeyIHOCJSZCDNVSKT-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 52.76
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

1,1,2,3,4-pentamethylazetidin-1-ium
CID 123690270
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
carbanide;iridium tetrahydride;1,2,3,4,5-pentamethylcyclopentane
CID 162298825
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);bis(scandium)
CID 162297700
carbanide;bis(1,2,3,4,5-pentamethylcyclopentane);titanium(4+)
CID 23231302
2,3,4,6-tetramethylbicyclo[3.1.0]hexane
CID 91229213
carbanide;bis(chlorochromium(2+));bis(1,2,3,4,5-pentamethylcyclopentane)
CID 23229957
bis(dichlororhodium);bis(1,2,3,4,5-pentamethylcyclopentane)
CID 74890113
(1R,2R,3S,4S,4aS,4bR,5R,6R,7S,8S,8aR,9R,10S,10aS)-1,2,3,4,5,6,7,8,9,10-decamethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 91281388
1-ethyl-1,2,3,4,5,6-hexamethylpiperidin-1-ium;1-ethyl-1,2,3,4,5-pentamethylpiperidin-1-ium;1-ethyl-1,2,3,5,6-pentamethylpiperidin-1-ium;1-ethyl-1,2,3,6-tetramethylpiperidin-1-ium
CID 167542439
2,5-dimethyl-3-azoniaspiro[2.2]pentane
CID 5247030
2,2,3-trimethyloxaziridin-2-ium
CID 101024828

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium?
The IUPAC name of 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium (CID 59866555) is 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium.
What is the SMILES notation for 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium?
The canonical SMILES for 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium is CC1C(C)C(C)[N+](C)(C)C(C)C1C.
What is the InChIKey of 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium?
The InChIKey is IHOCJSZCDNVSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N/c1-8-9(2)11(4)13(6,7)12(5)10(8)3/h8-12H,1-7H3/q+1.
What are the key properties of 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium?
1,1,2,3,4,5,6-heptamethylpiperidin-1-ium has a molecular weight of 184.35 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,5,6-heptamethylpiperidin-1-ium is sourced from PubChem (CID 59866555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).