1-methyl-1-(2-propoxyethyl)piperidin-1-ium

C11H24NO+ — CID 69235309

IUPAC1-methyl-1-(2-propoxyethyl)piperidin-1-ium
SMILESCCCOCC[N+]1(C)CCCCC1
InChIInChI=1S/C11H24NO/c1-3-10-13-11-9-12(2)7-5-4-6-8-12/h3-11H2,1-2H3/q+1
InChIKeyUHMXXXROHPAAMF-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.04
Rot. Bonds5

About 1-methyl-1-(2-propoxyethyl)piperidin-1-ium

1-methyl-1-(2-propoxyethyl)piperidin-1-ium (PubChem CID 69235309) has the molecular formula C11H24NO+ and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-methyl-1-(2-propoxyethyl)piperidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-(2-propoxyethyl)piperidin-1-ium
PubChem CID69235309
Molecular FormulaC11H24NO+
Molecular Weight186.32 g/mol
Exact Mass186.19
IUPAC Name1-methyl-1-(2-propoxyethyl)piperidin-1-ium
SMILESCCCOCC[N+]1(C)CCCCC1
InChIInChI=1S/C11H24NO/c1-3-10-13-11-9-12(2)7-5-4-6-8-12/h3-11H2,1-2H3/q+1
InChIKeyUHMXXXROHPAAMF-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-methyl-1-(2-propoxyethyl)piperidin-1-ium?
The IUPAC name of 1-methyl-1-(2-propoxyethyl)piperidin-1-ium (CID 69235309) is 1-methyl-1-(2-propoxyethyl)piperidin-1-ium.
What is the SMILES notation for 1-methyl-1-(2-propoxyethyl)piperidin-1-ium?
The canonical SMILES for 1-methyl-1-(2-propoxyethyl)piperidin-1-ium is CCCOCC[N+]1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-(2-propoxyethyl)piperidin-1-ium?
The InChIKey is UHMXXXROHPAAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO/c1-3-10-13-11-9-12(2)7-5-4-6-8-12/h3-11H2,1-2H3/q+1.
What are the key properties of 1-methyl-1-(2-propoxyethyl)piperidin-1-ium?
1-methyl-1-(2-propoxyethyl)piperidin-1-ium has a molecular weight of 186.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-propoxyethyl)piperidin-1-ium is sourced from PubChem (CID 69235309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).