1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine

C11H20N2O2 — CID 130679544

IUPAC1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine
SMILESC1CCN(C2CNC2)C(C2OCCO2)C1
InChIInChI=1S/C11H20N2O2/c1-2-4-13(9-7-12-8-9)10(3-1)11-14-5-6-15-11/h9-12H,1-8H2
InChIKeyDCWJPQDXWXTVKR-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.19
Rot. Bonds2

About 1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine

1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine (PubChem CID 130679544) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine
PubChem CID130679544
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine
SMILESC1CCN(C2CNC2)C(C2OCCO2)C1
InChIInChI=1S/C11H20N2O2/c1-2-4-13(9-7-12-8-9)10(3-1)11-14-5-6-15-11/h9-12H,1-8H2
InChIKeyDCWJPQDXWXTVKR-UHFFFAOYSA-N
XLogP0.19
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750917
(1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride
CID 130992359
1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 113296904
1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65322343
4-propan-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
CID 82407469
2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol
CID 84653848
(3aR,6aR)-1-cyclopentyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 131031737
(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 131002494
1-(oxepan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677910
4-(1-cyclopentylpyrrolidin-2-yl)piperidine
CID 66274294
(1S,2R,6S)-5,7-dioxa-8-azatricyclo[6.3.0.02,6]undecane
CID 102394338
2-methyl-1-(5-methylpiperidin-3-yl)azepane
CID 115373516

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine?
The IUPAC name of 1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine (CID 130679544) is 1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine.
What is the SMILES notation for 1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine?
The canonical SMILES for 1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine is C1CCN(C2CNC2)C(C2OCCO2)C1.
What is the InChIKey of 1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine?
The InChIKey is DCWJPQDXWXTVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-4-13(9-7-12-8-9)10(3-1)11-14-5-6-15-11/h9-12H,1-8H2.
What are the key properties of 1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine?
1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine has a molecular weight of 212.29 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2-(1,3-dioxolan-2-yl)piperidine is sourced from PubChem (CID 130679544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).