1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol

C11H16N2O3 — CID 103173821

IUPAC1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
SMILESCOc1ccnc(CN2CC(O)C2)c1OC
InChIInChI=1S/C11H16N2O3/c1-15-10-3-4-12-9(11(10)16-2)7-13-5-8(14)6-13/h3-4,8,14H,5-7H2,1-2H3
InChIKeyAALAECQXGZYDJP-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.28
Rot. Bonds4

About 1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol

1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol (PubChem CID 103173821) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
PubChem CID103173821
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
SMILESCOc1ccnc(CN2CC(O)C2)c1OC
InChIInChI=1S/C11H16N2O3/c1-15-10-3-4-12-9(11(10)16-2)7-13-5-8(14)6-13/h3-4,8,14H,5-7H2,1-2H3
InChIKeyAALAECQXGZYDJP-UHFFFAOYSA-N
XLogP0.28
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol?
The IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol (CID 103173821) is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol is COc1ccnc(CN2CC(O)C2)c1OC.
What is the InChIKey of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol?
The InChIKey is AALAECQXGZYDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-10-3-4-12-9(11(10)16-2)7-13-5-8(14)6-13/h3-4,8,14H,5-7H2,1-2H3.
What are the key properties of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol?
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol has a molecular weight of 224.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol is sourced from PubChem (CID 103173821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).