1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium

C10H20NO+ — CID 58070570

IUPAC1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium
SMILESC=COCC[N+]1(C)CCCCC1
InChIInChI=1S/C10H20NO/c1-3-12-10-9-11(2)7-5-4-6-8-11/h3H,1,4-10H2,2H3/q+1
InChIKeyIVIAECWGQPJAIX-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.78
Rot. Bonds4

About 1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium

1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium (PubChem CID 58070570) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium.

Molecular Properties

Compound Name1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium
PubChem CID58070570
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Name1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium
SMILESC=COCC[N+]1(C)CCCCC1
InChIInChI=1S/C10H20NO/c1-3-12-10-9-11(2)7-5-4-6-8-11/h3H,1,4-10H2,2H3/q+1
InChIKeyIVIAECWGQPJAIX-UHFFFAOYSA-N
XLogP1.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium?
The IUPAC name of 1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium (CID 58070570) is 1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium.
What is the SMILES notation for 1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium?
The canonical SMILES for 1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium is C=COCC[N+]1(C)CCCCC1.
What is the InChIKey of 1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium?
The InChIKey is IVIAECWGQPJAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO/c1-3-12-10-9-11(2)7-5-4-6-8-11/h3H,1,4-10H2,2H3/q+1.
What are the key properties of 1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium?
1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium has a molecular weight of 170.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethyl)-1-methylpiperidin-1-ium is sourced from PubChem (CID 58070570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).