5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

C16H21NO2 — CID 82983729

IUPAC5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CCCC2N1CC2CCC(C1)O2
InChIInChI=1S/C16H21NO2/c18-16-6-2-3-13-14(16)4-1-5-15(13)17-9-11-7-8-12(10-17)19-11/h2-3,6,11-12,15,18H,1,4-5,7-10H2
InChIKeySQLQWGDHFPMEJW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.63
Rot. Bonds1

About 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol

5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 82983729) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID82983729
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CCCC2N1CC2CCC(C1)O2
InChIInChI=1S/C16H21NO2/c18-16-6-2-3-13-14(16)4-1-5-15(13)17-9-11-7-8-12(10-17)19-11/h2-3,6,11-12,15,18H,1,4-5,7-10H2
InChIKeySQLQWGDHFPMEJW-UHFFFAOYSA-N
XLogP2.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 82983729) is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is Oc1cccc2c1CCCC2N1CC2CCC(C1)O2.
What is the InChIKey of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is SQLQWGDHFPMEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16-6-2-3-13-14(16)4-1-5-15(13)17-9-11-7-8-12(10-17)19-11/h2-3,6,11-12,15,18H,1,4-5,7-10H2.
What are the key properties of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol?
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 82983729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).