(1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane

C14H20N2O — CID 129269369

IUPAC(1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane
SMILESCN1C[C@H]2CC[C@@H](C1)C2OCc1cccnc1
InChIInChI=1S/C14H20N2O/c1-16-8-12-4-5-13(9-16)14(12)17-10-11-3-2-6-15-7-11/h2-3,6-7,12-14H,4-5,8-10H2,1H3/t12-,13+,14?
InChIKeyUINCGSFOXRHVFH-PBWFPOADSA-N
MW232.33 g/mol
LogP1.94
Rot. Bonds3

About (1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane

(1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane (PubChem CID 129269369) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane
PubChem CID129269369
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane
SMILESCN1C[C@H]2CC[C@@H](C1)C2OCc1cccnc1
InChIInChI=1S/C14H20N2O/c1-16-8-12-4-5-13(9-16)14(12)17-10-11-3-2-6-15-7-11/h2-3,6-7,12-14H,4-5,8-10H2,1H3/t12-,13+,14?
InChIKeyUINCGSFOXRHVFH-PBWFPOADSA-N
XLogP1.94
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane (CID 129269369) is (1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane is CN1C[C@H]2CC[C@@H](C1)C2OCc1cccnc1.
What is the InChIKey of (1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane?
The InChIKey is UINCGSFOXRHVFH-PBWFPOADSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-8-12-4-5-13(9-16)14(12)17-10-11-3-2-6-15-7-11/h2-3,6-7,12-14H,4-5,8-10H2,1H3/t12-,13+,14?.
What are the key properties of (1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane?
(1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane has a molecular weight of 232.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 129269369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).