3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine

C13H26N2O2 — CID 106587391

IUPAC3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
SMILESCOCC1CCCN(CCOC2(C)CNC2)C1
InChIInChI=1S/C13H26N2O2/c1-13(10-14-11-13)17-7-6-15-5-3-4-12(8-15)9-16-2/h12,14H,3-11H2,1-2H3
InChIKeyZWMPBKXDEXPUBU-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.72
Rot. Bonds6

About 3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine

3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine (PubChem CID 106587391) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
PubChem CID106587391
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
SMILESCOCC1CCCN(CCOC2(C)CNC2)C1
InChIInChI=1S/C13H26N2O2/c1-13(10-14-11-13)17-7-6-15-5-3-4-12(8-15)9-16-2/h12,14H,3-11H2,1-2H3
InChIKeyZWMPBKXDEXPUBU-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane
CID 106587374
3,4-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]pyrrolidine
CID 102656984
(3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 100627852
1-(3-bromopropyl)-3-(methoxymethyl)piperidine
CID 106588360
5-[3-(methoxymethyl)piperidin-1-yl]pentan-2-ol
CID 103274720
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
2-ethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine
CID 102656745
4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine
CID 102656713
6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol
CID 106590054
6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine?
The IUPAC name of 3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine (CID 106587391) is 3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine.
What is the SMILES notation for 3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine?
The canonical SMILES for 3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine is COCC1CCCN(CCOC2(C)CNC2)C1.
What is the InChIKey of 3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine?
The InChIKey is ZWMPBKXDEXPUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(10-14-11-13)17-7-6-15-5-3-4-12(8-15)9-16-2/h12,14H,3-11H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine?
3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine has a molecular weight of 242.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine is sourced from PubChem (CID 106587391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).