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

C13H26N2O — CID 102656949

IUPAC3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
SMILESCC1(C)CCCN(CCOC2(C)CNC2)C1
InChIInChI=1S/C13H26N2O/c1-12(2)5-4-6-15(11-12)7-8-16-13(3)9-14-10-13/h14H,4-11H2,1-3H3
InChIKeyMLIPVURPBUXVOC-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

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

3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine (PubChem CID 102656949) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
PubChem CID102656949
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
SMILESCC1(C)CCCN(CCOC2(C)CNC2)C1
InChIInChI=1S/C13H26N2O/c1-12(2)5-4-6-15(11-12)7-8-16-13(3)9-14-10-13/h14H,4-11H2,1-3H3
InChIKeyMLIPVURPBUXVOC-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-methylazetidin-3-yl)oxyethyl]thiomorpholine
CID 102656713
3,4-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]pyrrolidine
CID 102656984
3-(methoxymethyl)-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
CID 106587391
1-(2-fluoroethyl)-3,3-dimethylpiperidine
CID 131154120
2-ethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine
CID 102656745
2,2,6-trimethyl-4-[2-(3-methylazetidin-3-yl)oxyethyl]morpholine
CID 102656869
6-(3,3-dimethylpiperidin-1-yl)hexanamide
CID 176680347
2-methyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine
CID 102656674
7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane
CID 176680296
ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine
CID 142009512
3-methyl-3-octoxyazetidine
CID 83065433
1-[2-(3-methylazetidin-3-yl)oxyethyl]-2-propylpiperidine
CID 102657033

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine?
The IUPAC name of 3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine (CID 102656949) is 3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine.
What is the SMILES notation for 3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine?
The canonical SMILES for 3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine is CC1(C)CCCN(CCOC2(C)CNC2)C1.
What is the InChIKey of 3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine?
The InChIKey is MLIPVURPBUXVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)5-4-6-15(11-12)7-8-16-13(3)9-14-10-13/h14H,4-11H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine?
3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(3-methylazetidin-3-yl)oxyethyl]piperidine is sourced from PubChem (CID 102656949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).