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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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).