3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole

C155H185F3N14O — CID 158656214

About 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole

3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole (PubChem CID 158656214) has the molecular formula C155H185F3N14O and a molecular weight of 2317.28 g/mol. Its IUPAC name is 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole.

Molecular Properties

• Compound Name: 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole
• PubChem CID: 158656214
• Molecular Formula: C155H185F3N14O
• Molecular Weight: 2317.28 g/mol
• Exact Mass: 2315.48
• IUPAC Name: 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole
• SMILES: C1=CC2C(COCc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.C1=CC2C(Cc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.CCC1(C)CC2C=CC1N(CCc1c[nH]c3cccc(F)c13)C2.CCCC1(C)CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCCC1CC2C=CC1N(CCc1c[nH]c3ccc(F)cc13)C2.CCCCC1CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.Fc1ccc2[nH]cc(CCN3CC4C=CC3C(Cc3ccccc3)C4)c2c1
• InChI: InChI=1S/C25H28N2O.C24H25FN2.C24H26N2.2C21H28N2.2C20H25FN2/c1-2-6-19(7-3-1)17-28-18-22-14-20-10-11-25(22)27(16-20)13-12-21-15-26-24-9-5-4-8-23(21)24;25-21-7-8-23-22(14-21)19(15-26-23)10-11-27-16-18-6-9-24(27)20(13-18)12-17-4-2-1-3-5-17;1-2-6-18(7-3-1)14-21-15-19-10-11-24(21)26(17-19)13-12-20-16-25-23-9-5-4-8-22(20)23;1-3-11-21(2)13-16-8-9-20(21)23(15-16)12-10-17-14-22-19-7-5-4-6-18(17)19;1-2-3-6-17-13-16-9-10-21(17)23(15-16)12-11-18-14-22-20-8-5-4-7-19(18)20;1-3-20(2)11-14-7-8-18(20)23(13-14)10-9-15-12-22-17-6-4-5-16(21)19(15)17;1-2-3-15-10-14-4-7-20(15)23(13-14)9-8-16-12-22-19-6-5-17(21)11-18(16)19/h1-11,15,20,22,25-26H,12-14,16-18H2;1-9,14-15,18,20,24,26H,10-13,16H2;1-11,16,19,21,24-25H,12-15,17H2;4-9,14,16,20,22H,3,10-13,15H2,1-2H3;4-5,7-10,14,16-17,21-22H,2-3,6,11-13,15H2,1H3;4-8,12,14,18,22H,3,9-11,13H2,1-2H3;4-7,11-12,14-15,20,22H,2-3,8-10,13H2,1H3
• InChIKey: ICEAVNUFKUENCB-UHFFFAOYSA-N
• XLogP: 33.21
• TPSA: 142.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 37
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2317.28
LogP ≤ 5	33.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole?

The IUPAC name of 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole (CID 158656214) is 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole.

What is the SMILES notation for 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole?

The canonical SMILES for 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole is C1=CC2C(COCc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.C1=CC2C(Cc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.CCC1(C)CC2C=CC1N(CCc1c[nH]c3cccc(F)c13)C2.CCCC1(C)CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCCC1CC2C=CC1N(CCc1c[nH]c3ccc(F)cc13)C2.CCCCC1CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.Fc1ccc2[nH]cc(CCN3CC4C=CC3C(Cc3ccccc3)C4)c2c1.

What is the InChIKey of 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole?

The InChIKey is ICEAVNUFKUENCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O.C24H25FN2.C24H26N2.2C21H28N2.2C20H25FN2/c1-2-6-19(7-3-1)17-28-18-22-14-20-10-11-25(22)27(16-20)13-12-21-15-26-24-9-5-4-8-23(21)24;25-21-7-8-23-22(14-21)19(15-26-23)10-11-27-16-18-6-9-24(27)20(13-18)12-17-4-2-1-3-5-17;1-2-6-18(7-3-1)14-21-15-19-10-11-24(21)26(17-19)13-12-20-16-25-23-9-5-4-8-22(20)23;1-3-11-21(2)13-16-8-9-20(21)23(15-16)12-10-17-14-22-19-7-5-4-6-18(17)19;1-2-3-6-17-13-16-9-10-21(17)23(15-16)12-11-18-14-22-20-8-5-4-7-19(18)20;1-3-20(2)11-14-7-8-18(20)23(13-14)10-9-15-12-22-17-6-4-5-16(21)19(15)17;1-2-3-15-10-14-4-7-20(15)23(13-14)9-8-16-12-22-19-6-5-17(21)11-18(16)19/h1-11,15,20,22,25-26H,12-14,16-18H2;1-9,14-15,18,20,24,26H,10-13,16H2;1-11,16,19,21,24-25H,12-15,17H2;4-9,14,16,20,22H,3,10-13,15H2,1-2H3;4-5,7-10,14,16-17,21-22H,2-3,6,11-13,15H2,1H3;4-8,12,14,18,22H,3,9-11,13H2,1-2H3;4-7,11-12,14-15,20,22H,2-3,8-10,13H2,1H3.

What are the key properties of 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole?

3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole has a molecular weight of 2317.28 g/mol, XLogP of 33.21, 37 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole is sourced from PubChem (CID 158656214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).