4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol

C13H19N3O — CID 105365930

IUPAC4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESNc1ncccc1CC1(O)CCN2CCC1C2
InChIInChI=1S/C13H19N3O/c14-12-10(2-1-5-15-12)8-13(17)4-7-16-6-3-11(13)9-16/h1-2,5,11,17H,3-4,6-9H2,(H2,14,15)
InChIKeyFIKRPWXZTNUWMF-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.66
Rot. Bonds2

About 4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol

4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365930) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365930
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
SMILESNc1ncccc1CC1(O)CCN2CCC1C2
InChIInChI=1S/C13H19N3O/c14-12-10(2-1-5-15-12)8-13(17)4-7-16-6-3-11(13)9-16/h1-2,5,11,17H,3-4,6-9H2,(H2,14,15)
InChIKeyFIKRPWXZTNUWMF-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol (CID 105365930) is 4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol is Nc1ncccc1CC1(O)CCN2CCC1C2.
What is the InChIKey of 4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is FIKRPWXZTNUWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-12-10(2-1-5-15-12)8-13(17)4-7-16-6-3-11(13)9-16/h1-2,5,11,17H,3-4,6-9H2,(H2,14,15).
What are the key properties of 4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol?
4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 233.31 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).