4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine

C21H34N4O — CID 70785902

About 4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine

4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine (PubChem CID 70785902) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine.

Molecular Properties

• Compound Name: 4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine
• PubChem CID: 70785902
• Molecular Formula: C21H34N4O
• Molecular Weight: 358.53 g/mol
• Exact Mass: 358.27
• IUPAC Name: 4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine
• SMILES: CC(C)(CN1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2)N1CCOCC1
• InChI: InChI=1S/C21H34N4O/c1-21(2,25-9-11-26-12-10-25)17-24-14-18-6-7-20(24)16-23(13-18)15-19-5-3-4-8-22-19/h3-5,8,18,20H,6-7,9-17H2,1-2H3/t18-,20+/m0/s1
• InChIKey: DCWGPDANSPORDA-AZUAARDMSA-N
• XLogP: 2.09
• TPSA: 31.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.53
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine?

The IUPAC name of 4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine (CID 70785902) is 4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine.

What is the SMILES notation for 4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine?

The canonical SMILES for 4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine is CC(C)(CN1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2)N1CCOCC1.

What is the InChIKey of 4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine?

The InChIKey is DCWGPDANSPORDA-AZUAARDMSA-N. The full InChI is InChI=1S/C21H34N4O/c1-21(2,25-9-11-26-12-10-25)17-24-14-18-6-7-20(24)16-23(13-18)15-19-5-3-4-8-22-19/h3-5,8,18,20H,6-7,9-17H2,1-2H3/t18-,20+/m0/s1.

What are the key properties of 4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine?

4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine has a molecular weight of 358.53 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-methyl-1-[(1S,5R)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-2-yl]morpholine is sourced from PubChem (CID 70785902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).