(1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane

C13H18N2O2 — CID 71100410

IUPAC(1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESCc1ccc(OC2C[C@H]3COC[C@@H](C2)N3)nc1
InChIInChI=1S/C13H18N2O2/c1-9-2-3-13(14-6-9)17-12-4-10-7-16-8-11(5-12)15-10/h2-3,6,10-12,15H,4-5,7-8H2,1H3/t10-,11+,12?
InChIKeyQIBJKULDYPNXHL-FOSCPWQOSA-N
MW234.30 g/mol
LogP1.29
Rot. Bonds2

About (1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane

(1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane (PubChem CID 71100410) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane
PubChem CID71100410
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESCc1ccc(OC2C[C@H]3COC[C@@H](C2)N3)nc1
InChIInChI=1S/C13H18N2O2/c1-9-2-3-13(14-6-9)17-12-4-10-7-16-8-11(5-12)15-10/h2-3,6,10-12,15H,4-5,7-8H2,1H3/t10-,11+,12?
InChIKeyQIBJKULDYPNXHL-FOSCPWQOSA-N
XLogP1.29
TPSA43.38 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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane?
The IUPAC name of (1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane (CID 71100410) is (1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane is Cc1ccc(OC2C[C@H]3COC[C@@H](C2)N3)nc1.
What is the InChIKey of (1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane?
The InChIKey is QIBJKULDYPNXHL-FOSCPWQOSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-2-3-13(14-6-9)17-12-4-10-7-16-8-11(5-12)15-10/h2-3,6,10-12,15H,4-5,7-8H2,1H3/t10-,11+,12?.
What are the key properties of (1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane?
(1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane has a molecular weight of 234.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-7-[(5-methyl-2-pyridinyl)oxy]-3-oxa-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 71100410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).