3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one

C163H210F4N16O4 — CID 159572105

About 3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one

3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one (PubChem CID 159572105) has the molecular formula C163H210F4N16O4 and a molecular weight of 2533.57 g/mol. Its IUPAC name is 3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one.

Molecular Properties

• Compound Name: 3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one
• PubChem CID: 159572105
• Molecular Formula: C163H210F4N16O4
• Molecular Weight: 2533.57 g/mol
• Exact Mass: 2531.67
• IUPAC Name: 3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one
• SMILES: CCC1(C)CC2CN(CCc3c[nH]c4ccc(F)cc34)C1CC2=O.CCC1(C)CC2CN(CCc3c[nH]c4ccccc34)C1CC2=O.CCC1=CC2C(CC)CC1CN2CCc1c[nH]c2ccc(F)cc12.CCC1=CC2CC(CC)C1N(CCc1c[nH]c3ccccc13)C2.CCC1=CC2CC(CC)C1N(CCc1c[nH]c3ccccc13)C2.CCC1=CC2N(CCc3c[nH]c4ccc(F)cc34)CC1CC2(C)CC.CCC1CC2CN(CCc3c[nH]c4ccc(F)cc34)C1CC2=O.CCC1CC2CN(CCc3c[nH]c4ccccc34)C1CC2=O
• InChI: InChI=1S/C22H29FN2.C21H27FN2.2C21H28N2.C20H25FN2O.C20H26N2O.C19H23FN2O.C19H24N2O/c1-4-15-10-21-22(3,5-2)12-17(15)14-25(21)9-8-16-13-24-20-7-6-18(23)11-19(16)20;1-3-14-10-21-15(4-2)9-17(14)13-24(21)8-7-16-12-23-20-6-5-18(22)11-19(16)20;2*1-3-16-11-15-12-17(4-2)21(16)23(14-15)10-9-18-13-22-20-8-6-5-7-19(18)20;1-3-20(2)10-14-12-23(19(20)9-18(14)24)7-6-13-11-22-17-5-4-15(21)8-16(13)17;1-3-20(2)11-15-13-22(19(20)10-18(15)23)9-8-14-12-21-17-7-5-4-6-16(14)17;1-2-12-7-14-11-22(18(12)9-19(14)23)6-5-13-10-21-17-4-3-15(20)8-16(13)17;1-2-13-9-15-12-21(18(13)10-19(15)22)8-7-14-11-20-17-6-4-3-5-16(14)17/h6-7,10-11,13,17,21,24H,4-5,8-9,12,14H2,1-3H3;5-6,10-12,15,17,21,23H,3-4,7-9,13H2,1-2H3;2*5-8,11,13,15,17,21-22H,3-4,9-10,12,14H2,1-2H3;4-5,8,11,14,19,22H,3,6-7,9-10,12H2,1-2H3;4-7,12,15,19,21H,3,8-11,13H2,1-2H3;3-4,8,10,12,14,18,21H,2,5-7,9,11H2,1H3;3-6,11,13,15,18,20H,2,7-10,12H2,1H3
• InChIKey: MHYIBILTOLYBJS-UHFFFAOYSA-N
• XLogP: 34.43
• TPSA: 220.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 36
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2533.57
LogP ≤ 5	34.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one?

The IUPAC name of 3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one (CID 159572105) is 3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one.

What is the SMILES notation for 3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one?

The canonical SMILES for 3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one is CCC1(C)CC2CN(CCc3c[nH]c4ccc(F)cc34)C1CC2=O.CCC1(C)CC2CN(CCc3c[nH]c4ccccc34)C1CC2=O.CCC1=CC2C(CC)CC1CN2CCc1c[nH]c2ccc(F)cc12.CCC1=CC2CC(CC)C1N(CCc1c[nH]c3ccccc13)C2.CCC1=CC2CC(CC)C1N(CCc1c[nH]c3ccccc13)C2.CCC1=CC2N(CCc3c[nH]c4ccc(F)cc34)CC1CC2(C)CC.CCC1CC2CN(CCc3c[nH]c4ccc(F)cc34)C1CC2=O.CCC1CC2CN(CCc3c[nH]c4ccccc34)C1CC2=O.

What is the InChIKey of 3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one?

The InChIKey is MHYIBILTOLYBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2.C21H27FN2.2C21H28N2.C20H25FN2O.C20H26N2O.C19H23FN2O.C19H24N2O/c1-4-15-10-21-22(3,5-2)12-17(15)14-25(21)9-8-16-13-24-20-7-6-18(23)11-19(16)20;1-3-14-10-21-15(4-2)9-17(14)13-24(21)8-7-16-12-23-20-6-5-18(22)11-19(16)20;2*1-3-16-11-15-12-17(4-2)21(16)23(14-15)10-9-18-13-22-20-8-6-5-7-19(18)20;1-3-20(2)10-14-12-23(19(20)9-18(14)24)7-6-13-11-22-17-5-4-15(21)8-16(13)17;1-3-20(2)11-15-13-22(19(20)10-18(15)23)9-8-14-12-21-17-7-5-4-6-16(14)17;1-2-12-7-14-11-22(18(12)9-19(14)23)6-5-13-10-21-17-4-3-15(20)8-16(13)17;1-2-13-9-15-12-21(18(13)10-19(15)22)8-7-14-11-20-17-6-4-3-5-16(14)17/h6-7,10-11,13,17,21,24H,4-5,8-9,12,14H2,1-3H3;5-6,10-12,15,17,21,23H,3-4,7-9,13H2,1-2H3;2*5-8,11,13,15,17,21-22H,3-4,9-10,12,14H2,1-2H3;4-5,8,11,14,19,22H,3,6-7,9-10,12H2,1-2H3;4-7,12,15,19,21H,3,8-11,13H2,1-2H3;3-4,8,10,12,14,18,21H,2,5-7,9,11H2,1H3;3-6,11,13,15,18,20H,2,7-10,12H2,1H3.

What are the key properties of 3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one?

3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one has a molecular weight of 2533.57 g/mol, XLogP of 34.43, 36 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(5,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;bis(3-[2-(6,7-diethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(5,7-diethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-5-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-2-azabicyclo[2.2.2]octan-5-one is sourced from PubChem (CID 159572105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).