4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol

C13H18N2O2 — CID 105365838

IUPAC4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESCOc1cncc(C2(O)CCN3CCC2C3)c1
InChIInChI=1S/C13H18N2O2/c1-17-12-6-11(7-14-8-12)13(16)3-5-15-4-2-10(13)9-15/h6-8,10,16H,2-5,9H2,1H3
InChIKeyNPUNJYRETQMFIE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.00
Rot. Bonds2

About 4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol

4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol (PubChem CID 105365838) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol
PubChem CID105365838
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol
SMILESCOc1cncc(C2(O)CCN3CCC2C3)c1
InChIInChI=1S/C13H18N2O2/c1-17-12-6-11(7-14-8-12)13(16)3-5-15-4-2-10(13)9-15/h6-8,10,16H,2-5,9H2,1H3
InChIKeyNPUNJYRETQMFIE-UHFFFAOYSA-N
XLogP1.00
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol (CID 105365838) is 4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol is COc1cncc(C2(O)CCN3CCC2C3)c1.
What is the InChIKey of 4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol?
The InChIKey is NPUNJYRETQMFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-6-11(7-14-8-12)13(16)3-5-15-4-2-10(13)9-15/h6-8,10,16H,2-5,9H2,1H3.
What are the key properties of 4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol?
4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol has a molecular weight of 234.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 105365838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).