4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine

C24H30N2O — CID 67037319

IUPAC4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine
SMILESc1ccc([C@H]2CC3(N4CCOCC4)CNCC2[C@H](c2ccccc2)C3)cc1
InChIInChI=1S/C24H30N2O/c1-3-7-19(8-4-1)21-15-24(26-11-13-27-14-12-26)16-22(23(21)17-25-18-24)20-9-5-2-6-10-20/h1-10,21-23,25H,11-18H2/t21-,22+,23?,24?
InChIKeyQDRFBNUPHMXBIU-KFGJODCASA-N
MW362.52 g/mol
LogP3.64
Rot. Bonds3

About 4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine

4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine (PubChem CID 67037319) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine.

Molecular Properties

Compound Name4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine
PubChem CID67037319
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine
SMILESc1ccc([C@H]2CC3(N4CCOCC4)CNCC2[C@H](c2ccccc2)C3)cc1
InChIInChI=1S/C24H30N2O/c1-3-7-19(8-4-1)21-15-24(26-11-13-27-14-12-26)16-22(23(21)17-25-18-24)20-9-5-2-6-10-20/h1-10,21-23,25H,11-18H2/t21-,22+,23?,24?
InChIKeyQDRFBNUPHMXBIU-KFGJODCASA-N
XLogP3.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine?
The IUPAC name of 4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine (CID 67037319) is 4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine.
What is the SMILES notation for 4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine?
The canonical SMILES for 4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine is c1ccc([C@H]2CC3(N4CCOCC4)CNCC2[C@H](c2ccccc2)C3)cc1.
What is the InChIKey of 4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine?
The InChIKey is QDRFBNUPHMXBIU-KFGJODCASA-N. The full InChI is InChI=1S/C24H30N2O/c1-3-7-19(8-4-1)21-15-24(26-11-13-27-14-12-26)16-22(23(21)17-25-18-24)20-9-5-2-6-10-20/h1-10,21-23,25H,11-18H2/t21-,22+,23?,24?.
What are the key properties of 4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine?
4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine has a molecular weight of 362.52 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R,9S)-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-yl]morpholine is sourced from PubChem (CID 67037319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).