2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane

C19H21FN2O2 — CID 131653629

IUPAC2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cccnc1OC1CCOC2(C1)CN(Cc1ccccc1)C2
InChIInChI=1S/C19H21FN2O2/c20-17-7-4-9-21-18(17)24-16-8-10-23-19(11-16)13-22(14-19)12-15-5-2-1-3-6-15/h1-7,9,16H,8,10-14H2
InChIKeyIIPPJZDFKMNDTE-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.03
Rot. Bonds4

About 2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane

2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 131653629) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane
PubChem CID131653629
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cccnc1OC1CCOC2(C1)CN(Cc1ccccc1)C2
InChIInChI=1S/C19H21FN2O2/c20-17-7-4-9-21-18(17)24-16-8-10-23-19(11-16)13-22(14-19)12-15-5-2-1-3-6-15/h1-7,9,16H,8,10-14H2
InChIKeyIIPPJZDFKMNDTE-UHFFFAOYSA-N
XLogP3.03
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

8-[(3-fluoro-2-pyridinyl)oxy]-2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155845906
8-[(3-fluoro-2-pyridinyl)oxy]-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 131663766
1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
CID 131695272
1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-3-methylbutan-1-one
CID 131692833
1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone
CID 131649503
[(8S)-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone
CID 124792892
(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97419260
(3R,5S)-3-[(3-fluoro-2-pyridinyl)oxy]-7-(pyridin-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 97420082
[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155823619
8-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-2-(pyridin-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155845908
2-[(4-fluorophenyl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131657327
[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone
CID 133142243

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane (CID 131653629) is 2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane is Fc1cccnc1OC1CCOC2(C1)CN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is IIPPJZDFKMNDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-17-7-4-9-21-18(17)24-16-8-10-23-19(11-16)13-22(14-19)12-15-5-2-1-3-6-15/h1-7,9,16H,8,10-14H2.
What are the key properties of 2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane?
2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 328.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 131653629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).