2,2,6-trimethyl-6-methylpiperidin-1-ium

C9H19N+2 — CID 164682827

IUPAC2,2,6-trimethyl-6-methylpiperidin-1-ium
SMILES[CH2+]C1(C)CCCC(C)(C)[NH2+]1
InChIInChI=1S/C9H18N/c1-8(2)6-5-7-9(3,4)10-8/h10H,1,5-7H2,2-4H3/q+1/p+1
InChIKeyRZUIIMRBGQGZLL-UHFFFAOYSA-O
MW141.26 g/mol
LogP1.11
Rot. Bonds

About 2,2,6-trimethyl-6-methylpiperidin-1-ium

2,2,6-trimethyl-6-methylpiperidin-1-ium (PubChem CID 164682827) has the molecular formula C9H19N+2 and a molecular weight of 141.26 g/mol. Its IUPAC name is 2,2,6-trimethyl-6-methylpiperidin-1-ium.

Molecular Properties

Compound Name2,2,6-trimethyl-6-methylpiperidin-1-ium
PubChem CID164682827
Molecular FormulaC9H19N+2
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2,2,6-trimethyl-6-methylpiperidin-1-ium
SMILES[CH2+]C1(C)CCCC(C)(C)[NH2+]1
InChIInChI=1S/C9H18N/c1-8(2)6-5-7-9(3,4)10-8/h10H,1,5-7H2,2-4H3/q+1/p+1
InChIKeyRZUIIMRBGQGZLL-UHFFFAOYSA-O
XLogP1.11
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-6-methylpiperidin-1-ium?
The IUPAC name of 2,2,6-trimethyl-6-methylpiperidin-1-ium (CID 164682827) is 2,2,6-trimethyl-6-methylpiperidin-1-ium.
What is the SMILES notation for 2,2,6-trimethyl-6-methylpiperidin-1-ium?
The canonical SMILES for 2,2,6-trimethyl-6-methylpiperidin-1-ium is [CH2+]C1(C)CCCC(C)(C)[NH2+]1.
What is the InChIKey of 2,2,6-trimethyl-6-methylpiperidin-1-ium?
The InChIKey is RZUIIMRBGQGZLL-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18N/c1-8(2)6-5-7-9(3,4)10-8/h10H,1,5-7H2,2-4H3/q+1/p+1.
What are the key properties of 2,2,6-trimethyl-6-methylpiperidin-1-ium?
2,2,6-trimethyl-6-methylpiperidin-1-ium has a molecular weight of 141.26 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-6-methylpiperidin-1-ium is sourced from PubChem (CID 164682827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).