3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane

C13H18N2O — CID 122269072

IUPAC3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane
SMILESCOC1CC2CCC(C1)N2c1ccncc1
InChIInChI=1S/C13H18N2O/c1-16-13-8-11-2-3-12(9-13)15(11)10-4-6-14-7-5-10/h4-7,11-13H,2-3,8-9H2,1H3
InChIKeyYPGOBBDLSKENDF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.23
Rot. Bonds2

About 3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane

3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane (PubChem CID 122269072) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane
PubChem CID122269072
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane
SMILESCOC1CC2CCC(C1)N2c1ccncc1
InChIInChI=1S/C13H18N2O/c1-16-13-8-11-2-3-12(9-13)15(11)10-4-6-14-7-5-10/h4-7,11-13H,2-3,8-9H2,1H3
InChIKeyYPGOBBDLSKENDF-UHFFFAOYSA-N
XLogP2.23
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-pyridin-4-yl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride
CID 91623876
4-(2,5-dimethylpyrrolidin-1-yl)pyridine
CID 57275656
2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile
CID 171691140
(1R,5S)-8-[(3-chloro-4-pyridinyl)sulfonyl]-3-methoxy-8-azabicyclo[3.2.1]octane
CID 167989378
4-[(2S,3R)-2,3-dimethylaziridin-1-yl]pyridine
CID 153432442
3-methoxy-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 122269116
2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol
CID 117050343
methyl 4-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzoate
CID 121186374
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
8-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739086
1-[(3R)-3-methoxycyclohexyl]imidazole
CID 175222056
2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine
CID 117050368

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane (CID 122269072) is 3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane is COC1CC2CCC(C1)N2c1ccncc1.
What is the InChIKey of 3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is YPGOBBDLSKENDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-16-13-8-11-2-3-12(9-13)15(11)10-4-6-14-7-5-10/h4-7,11-13H,2-3,8-9H2,1H3.
What are the key properties of 3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane?
3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 218.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 122269072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).