8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C20H34N4O2 — CID 16673724

About 8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 16673724) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

• Compound Name: 8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
• PubChem CID: 16673724
• Molecular Formula: C20H34N4O2
• Molecular Weight: 362.52 g/mol
• Exact Mass: 362.27
• IUPAC Name: 8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
• SMILES: Cn1ccnc1C1(O)CC2CCC(C1)N2CC(C)(C)CN1CCOCC1
• InChI: InChI=1S/C20H34N4O2/c1-19(2,14-23-8-10-26-11-9-23)15-24-16-4-5-17(24)13-20(25,12-16)18-21-6-7-22(18)3/h6-7,16-17,25H,4-5,8-15H2,1-3H3
• InChIKey: FPEFZMFYWODHPS-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 53.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.52
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?

The IUPAC name of 8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 16673724) is 8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

What is the SMILES notation for 8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?

The canonical SMILES for 8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is Cn1ccnc1C1(O)CC2CCC(C1)N2CC(C)(C)CN1CCOCC1.

What is the InChIKey of 8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?

The InChIKey is FPEFZMFYWODHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-19(2,14-23-8-10-26-11-9-23)15-24-16-4-5-17(24)13-20(25,12-16)18-21-6-7-22(18)3/h6-7,16-17,25H,4-5,8-15H2,1-3H3.

What are the key properties of 8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?

8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 362.52 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,2-dimethyl-3-morpholin-4-ylpropyl)-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 16673724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).