2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium

C12H28N2+2 — CID 3048282

IUPAC2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCC1CC[N+](C)(C)CC1
InChIInChI=1S/C12H28N2/c1-13(2,3)9-6-12-7-10-14(4,5)11-8-12/h12H,6-11H2,1-5H3/q+2
InChIKeyYGDCTTBIKAQEMV-UHFFFAOYSA-N
MW200.37 g/mol
LogP1.57
Rot. Bonds3

About 2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium

2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium (PubChem CID 3048282) has the molecular formula C12H28N2+2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium
PubChem CID3048282
Molecular FormulaC12H28N2+2
Molecular Weight200.37 g/mol
Exact Mass200.22
IUPAC Name2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCC1CC[N+](C)(C)CC1
InChIInChI=1S/C12H28N2/c1-13(2,3)9-6-12-7-10-14(4,5)11-8-12/h12H,6-11H2,1-5H3/q+2
InChIKeyYGDCTTBIKAQEMV-UHFFFAOYSA-N
XLogP1.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium?
The IUPAC name of 2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium (CID 3048282) is 2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium.
What is the SMILES notation for 2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium?
The canonical SMILES for 2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium is C[N+](C)(C)CCC1CC[N+](C)(C)CC1.
What is the InChIKey of 2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium?
The InChIKey is YGDCTTBIKAQEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-13(2,3)9-6-12-7-10-14(4,5)11-8-12/h12H,6-11H2,1-5H3/q+2.
What are the key properties of 2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium?
2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium has a molecular weight of 200.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl-trimethylazanium is sourced from PubChem (CID 3048282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).