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

C12H17N3O — CID 104540402

IUPAC8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1ncccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C12H17N3O/c13-12-11(2-1-5-14-12)15-8-3-4-9(15)7-10(16)6-8/h1-2,5,8-10,16H,3-4,6-7H2,(H2,13,14)
InChIKeyQEZUJLKPGZRGRI-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.16
Rot. Bonds1

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

8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 104540402) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID104540402
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1ncccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C12H17N3O/c13-12-11(2-1-5-14-12)15-8-3-4-9(15)7-10(16)6-8/h1-2,5,8-10,16H,3-4,6-7H2,(H2,13,14)
InChIKeyQEZUJLKPGZRGRI-UHFFFAOYSA-N
XLogP1.16
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 104540402) is 8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is Nc1ncccc1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is QEZUJLKPGZRGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-12-11(2-1-5-14-12)15-8-3-4-9(15)7-10(16)6-8/h1-2,5,8-10,16H,3-4,6-7H2,(H2,13,14).
What are the key properties of 8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 219.29 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 104540402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).