1,1,2,2-tetramethylpiperidin-1-ium

C9H20N+ — CID 19375374

IUPAC1,1,2,2-tetramethylpiperidin-1-ium
SMILESCC1(C)CCCC[N+]1(C)C
InChIInChI=1S/C9H20N/c1-9(2)7-5-6-8-10(9,3)4/h5-8H2,1-4H3/q+1
InChIKeyWMYVGHJOBOURLB-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.03
Rot. Bonds

About 1,1,2,2-tetramethylpiperidin-1-ium

1,1,2,2-tetramethylpiperidin-1-ium (PubChem CID 19375374) has the molecular formula C9H20N+ and a molecular weight of 142.27 g/mol. Its IUPAC name is 1,1,2,2-tetramethylpiperidin-1-ium.

Molecular Properties

Compound Name1,1,2,2-tetramethylpiperidin-1-ium
PubChem CID19375374
Molecular FormulaC9H20N+
Molecular Weight142.27 g/mol
Exact Mass142.16
IUPAC Name1,1,2,2-tetramethylpiperidin-1-ium
SMILESCC1(C)CCCC[N+]1(C)C
InChIInChI=1S/C9H20N/c1-9(2)7-5-6-8-10(9,3)4/h5-8H2,1-4H3/q+1
InChIKeyWMYVGHJOBOURLB-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.03
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 1,1,2,2-tetramethylpiperidin-1-ium?
The IUPAC name of 1,1,2,2-tetramethylpiperidin-1-ium (CID 19375374) is 1,1,2,2-tetramethylpiperidin-1-ium.
What is the SMILES notation for 1,1,2,2-tetramethylpiperidin-1-ium?
The canonical SMILES for 1,1,2,2-tetramethylpiperidin-1-ium is CC1(C)CCCC[N+]1(C)C.
What is the InChIKey of 1,1,2,2-tetramethylpiperidin-1-ium?
The InChIKey is WMYVGHJOBOURLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N/c1-9(2)7-5-6-8-10(9,3)4/h5-8H2,1-4H3/q+1.
What are the key properties of 1,1,2,2-tetramethylpiperidin-1-ium?
1,1,2,2-tetramethylpiperidin-1-ium has a molecular weight of 142.27 g/mol, XLogP of 2.03, 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-tetramethylpiperidin-1-ium is sourced from PubChem (CID 19375374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).