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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Related Compounds

1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine
CID 103173612
(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 103173642
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 103173538
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]piperazin-1-yl]acetic acid
CID 103173472
1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidine-4-carbothioamide
CID 103172874
2-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine
CID 103174046
(3S,4R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 70740847
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 103173279
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 70768891
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-propyl-1,4-diazepane
CID 103174277
3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 122139214
(3R,5R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480553

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).