1-methyl-1-(oxan-3-yl)piperidin-1-ium

C11H22NO+ — CID 3049314

IUPAC1-methyl-1-(oxan-3-yl)piperidin-1-ium
SMILESC[N+]1(C2CCCOC2)CCCCC1
InChIInChI=1S/C11H22NO/c1-12(7-3-2-4-8-12)11-6-5-9-13-10-11/h11H,2-10H2,1H3/q+1
InChIKeyZRQPPWTWYBUVRM-UHFFFAOYSA-N
MW184.30 g/mol
LogP1.80
Rot. Bonds1

About 1-methyl-1-(oxan-3-yl)piperidin-1-ium

1-methyl-1-(oxan-3-yl)piperidin-1-ium (PubChem CID 3049314) has the molecular formula C11H22NO+ and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-methyl-1-(oxan-3-yl)piperidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-(oxan-3-yl)piperidin-1-ium
PubChem CID3049314
Molecular FormulaC11H22NO+
Molecular Weight184.30 g/mol
Exact Mass184.17
IUPAC Name1-methyl-1-(oxan-3-yl)piperidin-1-ium
SMILESC[N+]1(C2CCCOC2)CCCCC1
InChIInChI=1S/C11H22NO/c1-12(7-3-2-4-8-12)11-6-5-9-13-10-11/h11H,2-10H2,1H3/q+1
InChIKeyZRQPPWTWYBUVRM-UHFFFAOYSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-methyl-1-(oxan-3-yl)piperidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(oxan-3-yl)piperidin-1-ium?
The IUPAC name of 1-methyl-1-(oxan-3-yl)piperidin-1-ium (CID 3049314) is 1-methyl-1-(oxan-3-yl)piperidin-1-ium.
What is the SMILES notation for 1-methyl-1-(oxan-3-yl)piperidin-1-ium?
The canonical SMILES for 1-methyl-1-(oxan-3-yl)piperidin-1-ium is C[N+]1(C2CCCOC2)CCCCC1.
What is the InChIKey of 1-methyl-1-(oxan-3-yl)piperidin-1-ium?
The InChIKey is ZRQPPWTWYBUVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO/c1-12(7-3-2-4-8-12)11-6-5-9-13-10-11/h11H,2-10H2,1H3/q+1.
What are the key properties of 1-methyl-1-(oxan-3-yl)piperidin-1-ium?
1-methyl-1-(oxan-3-yl)piperidin-1-ium has a molecular weight of 184.30 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(oxan-3-yl)piperidin-1-ium is sourced from PubChem (CID 3049314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).