(1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane

C13H18N2O2 — CID 73053571

IUPAC(1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
SMILES[11CH3]Oc1cccc(OC2C[C@H]3CC[C@@H](C2)N3)n1
InChIInChI=1S/C13H18N2O2/c1-16-12-3-2-4-13(15-12)17-11-7-9-5-6-10(8-11)14-9/h2-4,9-11,14H,5-8H2,1H3/t9-,10+,11?/i1-1
InChIKeyDJMSFAKXFZBLDB-ITPWHFQISA-N
MW233.30 g/mol
LogP1.75
Rot. Bonds3

About (1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane

(1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane (PubChem CID 73053571) has the molecular formula C13H18N2O2 and a molecular weight of 233.30 g/mol. Its IUPAC name is (1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
PubChem CID73053571
Molecular FormulaC13H18N2O2
Molecular Weight233.30 g/mol
Exact Mass233.15
IUPAC Name(1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane
SMILES[11CH3]Oc1cccc(OC2C[C@H]3CC[C@@H](C2)N3)n1
InChIInChI=1S/C13H18N2O2/c1-16-12-3-2-4-13(15-12)17-11-7-9-5-6-10(8-11)14-9/h2-4,9-11,14H,5-8H2,1H3/t9-,10+,11?/i1-1
InChIKeyDJMSFAKXFZBLDB-ITPWHFQISA-N
XLogP1.75
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane (CID 73053571) is (1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane is [11CH3]Oc1cccc(OC2C[C@H]3CC[C@@H](C2)N3)n1.
What is the InChIKey of (1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is DJMSFAKXFZBLDB-ITPWHFQISA-N. The full InChI is InChI=1S/C13H18N2O2/c1-16-12-3-2-4-13(15-12)17-11-7-9-5-6-10(8-11)14-9/h2-4,9-11,14H,5-8H2,1H3/t9-,10+,11?/i1-1.
What are the key properties of (1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 233.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-[(6-(111C)methoxy-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 73053571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).