8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C13H19N3O — CID 79234642

IUPAC8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1cccc(CN2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H19N3O/c14-13-3-1-2-9(15-13)8-16-10-4-5-11(16)7-12(17)6-10/h1-3,10-12,17H,4-8H2,(H2,14,15)
InChIKeyPYKQYHGNUXXOAS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.15
Rot. Bonds2

About 8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 79234642) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID79234642
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1cccc(CN2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H19N3O/c14-13-3-1-2-9(15-13)8-16-10-4-5-11(16)7-12(17)6-10/h1-3,10-12,17H,4-8H2,(H2,14,15)
InChIKeyPYKQYHGNUXXOAS-UHFFFAOYSA-N
XLogP1.15
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 79234642) is 8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is Nc1cccc(CN2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is PYKQYHGNUXXOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-13-3-1-2-9(15-13)8-16-10-4-5-11(16)7-12(17)6-10/h1-3,10-12,17H,4-8H2,(H2,14,15).
What are the key properties of 8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 233.31 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 79234642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).