4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine

C17H18N2O2 — CID 155800422

IUPAC4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine
SMILESc1cc(OC2CN(Cc3ccc4c(c3)CCO4)C2)ccn1
InChIInChI=1S/C17H18N2O2/c1-2-17-14(5-8-20-17)9-13(1)10-19-11-16(12-19)21-15-3-6-18-7-4-15/h1-4,6-7,9,16H,5,8,10-12H2
InChIKeyITUOMSNDGLBQPR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.28
Rot. Bonds4

About 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine

4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine (PubChem CID 155800422) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine.

Molecular Properties

Compound Name4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine
PubChem CID155800422
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine
SMILESc1cc(OC2CN(Cc3ccc4c(c3)CCO4)C2)ccn1
InChIInChI=1S/C17H18N2O2/c1-2-17-14(5-8-20-17)9-13(1)10-19-11-16(12-19)21-15-3-6-18-7-4-15/h1-4,6-7,9,16H,5,8,10-12H2
InChIKeyITUOMSNDGLBQPR-UHFFFAOYSA-N
XLogP2.28
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine
CID 163353082
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65062998
6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678269
4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine
CID 154830506
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 65446224
(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine
CID 29001171
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylmorpholine
CID 131900950
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine
CID 99854678
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 131945300
1-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]ethanol
CID 111113743

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine?
The IUPAC name of 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine (CID 155800422) is 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine.
What is the SMILES notation for 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine?
The canonical SMILES for 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine is c1cc(OC2CN(Cc3ccc4c(c3)CCO4)C2)ccn1.
What is the InChIKey of 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine?
The InChIKey is ITUOMSNDGLBQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-17-14(5-8-20-17)9-13(1)10-19-11-16(12-19)21-15-3-6-18-7-4-15/h1-4,6-7,9,16H,5,8,10-12H2.
What are the key properties of 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine?
4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine has a molecular weight of 282.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-yl]oxypyridine is sourced from PubChem (CID 155800422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).