8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

C16H21F3N2O4 — CID 171696059

IUPAC8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(OCCC2CCOC3(CNC3)C2)nc1
InChIInChI=1S/C14H20N2O2.C2HF3O2/c1-2-6-16-13(3-1)17-7-4-12-5-8-18-14(9-12)10-15-11-14;3-2(4,5)1(6)7/h1-3,6,12,15H,4-5,7-11H2;(H,6,7)
InChIKeyWAHLGEIKMYQLIT-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.25
Rot. Bonds4

About 8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid

8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (PubChem CID 171696059) has the molecular formula C16H21F3N2O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
PubChem CID171696059
Molecular FormulaC16H21F3N2O4
Molecular Weight362.35 g/mol
Exact Mass362.15
IUPAC Name8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(OCCC2CCOC3(CNC3)C2)nc1
InChIInChI=1S/C14H20N2O2.C2HF3O2/c1-2-6-16-13(3-1)17-7-4-12-5-8-18-14(9-12)10-15-11-14;3-2(4,5)1(6)7/h1-3,6,12,15H,4-5,7-11H2;(H,6,7)
InChIKeyWAHLGEIKMYQLIT-UHFFFAOYSA-N
XLogP2.25
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N,N-dimethyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155825398
8-(2-pyrazin-2-yloxyethyl)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 171693612
cyclobutyl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692822
2-methoxy-1-[(8R)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124791670
3-methoxy-1-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
CID 131671965
(8R)-2-ethylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124896021
8-[2-(pyridin-2-ylmethoxy)ethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155840559
8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155848070
2-cyclopropylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155851762
2-(benzenesulfonyl)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155862897
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
(8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124795166

Frequently Asked Questions

What is the IUPAC name of 8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid (CID 171696059) is 8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(OCCC2CCOC3(CNC3)C2)nc1.
What is the InChIKey of 8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
The InChIKey is WAHLGEIKMYQLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C2HF3O2/c1-2-6-16-13(3-1)17-7-4-12-5-8-18-14(9-12)10-15-11-14;3-2(4,5)1(6)7/h1-3,6,12,15H,4-5,7-11H2;(H,6,7).
What are the key properties of 8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid?
8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid has a molecular weight of 362.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171696059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).