2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine

C11H22N2O2 — CID 79677638

IUPAC2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine
SMILESCOC1(OC)CN(CC2CCCCN2)C1
InChIInChI=1S/C11H22N2O2/c1-14-11(15-2)8-13(9-11)7-10-5-3-4-6-12-10/h10,12H,3-9H2,1-2H3
InChIKeyQOEPQCQTGLHBND-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.43
Rot. Bonds4

About 2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine

2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine (PubChem CID 79677638) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine
PubChem CID79677638
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine
SMILESCOC1(OC)CN(CC2CCCCN2)C1
InChIInChI=1S/C11H22N2O2/c1-14-11(15-2)8-13(9-11)7-10-5-3-4-6-12-10/h10,12H,3-9H2,1-2H3
InChIKeyQOEPQCQTGLHBND-UHFFFAOYSA-N
XLogP0.43
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine?
The IUPAC name of 2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine (CID 79677638) is 2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine.
What is the SMILES notation for 2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine?
The canonical SMILES for 2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine is COC1(OC)CN(CC2CCCCN2)C1.
What is the InChIKey of 2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine?
The InChIKey is QOEPQCQTGLHBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-14-11(15-2)8-13(9-11)7-10-5-3-4-6-12-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine?
2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine has a molecular weight of 214.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethoxyazetidin-1-yl)methyl]piperidine is sourced from PubChem (CID 79677638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).