9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C21H26N2O2 — CID 171957910

IUPAC9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCc1ccc(C2(O)CC3COCC(C2)N3Cc2ccccc2)c(C)n1
InChIInChI=1S/C21H26N2O2/c1-15-8-9-20(16(2)22-15)21(24)10-18-13-25-14-19(11-21)23(18)12-17-6-4-3-5-7-17/h3-9,18-19,24H,10-14H2,1-2H3
InChIKeyGDXYUVOZDHWDLX-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.95
Rot. Bonds3

About 9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171957910) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171957910
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCc1ccc(C2(O)CC3COCC(C2)N3Cc2ccccc2)c(C)n1
InChIInChI=1S/C21H26N2O2/c1-15-8-9-20(16(2)22-15)21(24)10-18-13-25-14-19(11-21)23(18)12-17-6-4-3-5-7-17/h3-9,18-19,24H,10-14H2,1-2H3
InChIKeyGDXYUVOZDHWDLX-UHFFFAOYSA-N
XLogP2.95
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-benzyl-3-(2,6-dimethyl-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957894
9-benzyl-7-(1,3-dimethylpyrazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959441
9-benzyl-7-(2-ethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958762
9-benzyl-7-(2-propan-2-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171961994
9-benzyl-7-(3-methyl-2-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171964493
9-benzyl-7-(1,2-oxazol-4-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171952968
9-benzyl-7-(2,5-difluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958616
9-benzyl-7-cyclopropyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171953238
9-benzyl-7-[2,6-di(propan-2-yl)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171957196
9-benzyl-7-(3-methylbut-2-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171952918
9-benzyl-7-(4-fluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171965074
9-benzyl-7-(3,5-difluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958520

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171957910) is 9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is Cc1ccc(C2(O)CC3COCC(C2)N3Cc2ccccc2)c(C)n1.
What is the InChIKey of 9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is GDXYUVOZDHWDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-8-9-20(16(2)22-15)21(24)10-18-13-25-14-19(11-21)23(18)12-17-6-4-3-5-7-17/h3-9,18-19,24H,10-14H2,1-2H3.
What are the key properties of 9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 338.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-7-(2,6-dimethyl-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171957910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).