6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane

C13H18N2O — CID 72985544

IUPAC6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane
SMILESCOc1ccccc1N1CC2CNCC1C2
InChIInChI=1S/C13H18N2O/c1-16-13-5-3-2-4-12(13)15-9-10-6-11(15)8-14-7-10/h2-5,10-11,14H,6-9H2,1H3
InChIKeyZHRWUKRGQOYYAX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.49
Rot. Bonds2

About 6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane

6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane (PubChem CID 72985544) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane
PubChem CID72985544
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane
SMILESCOc1ccccc1N1CC2CNCC1C2
InChIInChI=1S/C13H18N2O/c1-16-13-5-3-2-4-12(13)15-9-10-6-11(15)8-14-7-10/h2-5,10-11,14H,6-9H2,1H3
InChIKeyZHRWUKRGQOYYAX-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane (CID 72985544) is 6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane is COc1ccccc1N1CC2CNCC1C2.
What is the InChIKey of 6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is ZHRWUKRGQOYYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-16-13-5-3-2-4-12(13)15-9-10-6-11(15)8-14-7-10/h2-5,10-11,14H,6-9H2,1H3.
What are the key properties of 6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane?
6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 218.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 72985544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).