9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C18H26N2O3 — CID 171957295

IUPAC9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCN1C2COCC1CC(O)(c1ccc(N3CCOCC3)cc1)C2
InChIInChI=1S/C18H26N2O3/c1-19-16-10-18(21,11-17(19)13-23-12-16)14-2-4-15(5-3-14)20-6-8-22-9-7-20/h2-5,16-17,21H,6-13H2,1H3
InChIKeyQIVDTLBJUXPXIJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.20
Rot. Bonds2

About 9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171957295) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171957295
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCN1C2COCC1CC(O)(c1ccc(N3CCOCC3)cc1)C2
InChIInChI=1S/C18H26N2O3/c1-19-16-10-18(21,11-17(19)13-23-12-16)14-2-4-15(5-3-14)20-6-8-22-9-7-20/h2-5,16-17,21H,6-13H2,1H3
InChIKeyQIVDTLBJUXPXIJ-UHFFFAOYSA-N
XLogP1.20
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171957295) is 9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is CN1C2COCC1CC(O)(c1ccc(N3CCOCC3)cc1)C2.
What is the InChIKey of 9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is QIVDTLBJUXPXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-19-16-10-18(21,11-17(19)13-23-12-16)14-2-4-15(5-3-14)20-6-8-22-9-7-20/h2-5,16-17,21H,6-13H2,1H3.
What are the key properties of 9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 318.42 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171957295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).