3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine

C16H16N2O3 — CID 134787473

IUPAC3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine
SMILESc1cncc(CN2CC(Oc3ccc4c(c3)OCO4)C2)c1
InChIInChI=1S/C16H16N2O3/c1-2-12(7-17-5-1)8-18-9-14(10-18)21-13-3-4-15-16(6-13)20-11-19-15/h1-7,14H,8-11H2
InChIKeyMVEWRYYDNYCJBU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.07
Rot. Bonds4

About 3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine

3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine (PubChem CID 134787473) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine
PubChem CID134787473
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine
SMILESc1cncc(CN2CC(Oc3ccc4c(c3)OCO4)C2)c1
InChIInChI=1S/C16H16N2O3/c1-2-12(7-17-5-1)8-18-9-14(10-18)21-13-3-4-15-16(6-13)20-11-19-15/h1-7,14H,8-11H2
InChIKeyMVEWRYYDNYCJBU-UHFFFAOYSA-N
XLogP2.07
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine (CID 134787473) is 3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine is c1cncc(CN2CC(Oc3ccc4c(c3)OCO4)C2)c1.
What is the InChIKey of 3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine?
The InChIKey is MVEWRYYDNYCJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-12(7-17-5-1)8-18-9-14(10-18)21-13-3-4-15-16(6-13)20-11-19-15/h1-7,14H,8-11H2.
What are the key properties of 3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine?
3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine has a molecular weight of 284.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1,3-benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine is sourced from PubChem (CID 134787473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).