[6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol

C13H19N3O — CID 121204401

IUPAC[6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol
SMILESNc1ccc(N2CC(CO)C3(CCC3)C2)nc1
InChIInChI=1S/C13H19N3O/c14-11-2-3-12(15-6-11)16-7-10(8-17)13(9-16)4-1-5-13/h2-3,6,10,17H,1,4-5,7-9,14H2
InChIKeyNMRKDESEAUPSGI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.26
Rot. Bonds2

About [6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol

[6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol (PubChem CID 121204401) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol.

Molecular Properties

Compound Name[6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol
PubChem CID121204401
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol
SMILESNc1ccc(N2CC(CO)C3(CCC3)C2)nc1
InChIInChI=1S/C13H19N3O/c14-11-2-3-12(15-6-11)16-7-10(8-17)13(9-16)4-1-5-13/h2-3,6,10,17H,1,4-5,7-9,14H2
InChIKeyNMRKDESEAUPSGI-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol?
The IUPAC name of [6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol (CID 121204401) is [6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol.
What is the SMILES notation for [6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol?
The canonical SMILES for [6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol is Nc1ccc(N2CC(CO)C3(CCC3)C2)nc1.
What is the InChIKey of [6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol?
The InChIKey is NMRKDESEAUPSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-11-2-3-12(15-6-11)16-7-10(8-17)13(9-16)4-1-5-13/h2-3,6,10,17H,1,4-5,7-9,14H2.
What are the key properties of [6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol?
[6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol has a molecular weight of 233.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-amino-2-pyridinyl)-6-azaspiro[3.4]octan-8-yl]methanol is sourced from PubChem (CID 121204401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).