1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine

C132H151Cl4F3N12O3 — CID 159391875

About 1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine

1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine (PubChem CID 159391875) has the molecular formula C132H151Cl4F3N12O3 and a molecular weight of 2152.55 g/mol. Its IUPAC name is 1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine.

Molecular Properties

• Compound Name: 1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
• PubChem CID: 159391875
• Molecular Formula: C132H151Cl4F3N12O3
• Molecular Weight: 2152.55 g/mol
• Exact Mass: 2149.07
• IUPAC Name: 1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
• SMILES: CCCCCn1cc(-c2ccc(OC)cc2)c2cc(CN3CC4CCC(C3)N4Cc3ccccc3Cl)ccc21.CCCCn1cc(-c2ccc(CC)cc2)c2cc(CN3CC4CCC(C3)N4Cc3ccccc3Cl)ccc21.CCCCn1cc(-c2ccc(OC)cc2)c2cc(CN3CC4CCC(C3)N4Cc3ccccc3Cl)ccc21.NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CC3CCN(Cc4ccccc4Cl)CC3)ccc21
• InChI: InChI=1S/C34H40ClN3O.C34H40ClN3.C33H38ClN3O.C31H33ClF3N3O/c1-3-4-7-18-37-24-32(26-11-15-30(39-2)16-12-26)31-19-25(10-17-34(31)37)20-36-22-28-13-14-29(23-36)38(28)21-27-8-5-6-9-33(27)35;1-3-5-18-37-24-32(27-13-10-25(4-2)11-14-27)31-19-26(12-17-34(31)37)20-36-22-29-15-16-30(23-36)38(29)21-28-8-6-7-9-33(28)35;1-3-4-17-36-23-31(25-10-14-29(38-2)15-11-25)30-18-24(9-16-33(30)36)19-35-21-27-12-13-28(22-35)37(27)20-26-7-5-6-8-32(26)34;32-29-5-2-1-4-25(29)20-37-16-12-22(13-17-37)18-23-6-11-30-27(19-23)28(21-38(30)15-3-14-36)24-7-9-26(10-8-24)39-31(33,34)35/h5-6,8-12,15-17,19,24,28-29H,3-4,7,13-14,18,20-23H2,1-2H3;6-14,17,19,24,29-30H,3-5,15-16,18,20-23H2,1-2H3;5-11,14-16,18,23,27-28H,3-4,12-13,17,19-22H2,1-2H3;1-2,4-11,19,21-22H,3,12-18,20,36H2
• InChIKey: LMFIMRRHKJLKDL-UHFFFAOYSA-N
• XLogP: 31.47
• TPSA: 96.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 37
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2152.55
LogP ≤ 5	31.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine?

The IUPAC name of 1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine (CID 159391875) is 1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine.

What is the SMILES notation for 1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine?

The canonical SMILES for 1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine is CCCCCn1cc(-c2ccc(OC)cc2)c2cc(CN3CC4CCC(C3)N4Cc3ccccc3Cl)ccc21.CCCCn1cc(-c2ccc(CC)cc2)c2cc(CN3CC4CCC(C3)N4Cc3ccccc3Cl)ccc21.CCCCn1cc(-c2ccc(OC)cc2)c2cc(CN3CC4CCC(C3)N4Cc3ccccc3Cl)ccc21.NCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CC3CCN(Cc4ccccc4Cl)CC3)ccc21.

What is the InChIKey of 1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine?

The InChIKey is LMFIMRRHKJLKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40ClN3O.C34H40ClN3.C33H38ClN3O.C31H33ClF3N3O/c1-3-4-7-18-37-24-32(26-11-15-30(39-2)16-12-26)31-19-25(10-17-34(31)37)20-36-22-28-13-14-29(23-36)38(28)21-27-8-5-6-9-33(27)35;1-3-5-18-37-24-32(27-13-10-25(4-2)11-14-27)31-19-26(12-17-34(31)37)20-36-22-29-15-16-30(23-36)38(29)21-28-8-6-7-9-33(28)35;1-3-4-17-36-23-31(25-10-14-29(38-2)15-11-25)30-18-24(9-16-33(30)36)19-35-21-27-12-13-28(22-35)37(27)20-26-7-5-6-8-32(26)34;32-29-5-2-1-4-25(29)20-37-16-12-22(13-17-37)18-23-6-11-30-27(19-23)28(21-38(30)15-3-14-36)24-7-9-26(10-8-24)39-31(33,34)35/h5-6,8-12,15-17,19,24,28-29H,3-4,7,13-14,18,20-23H2,1-2H3;6-14,17,19,24,29-30H,3-5,15-16,18,20-23H2,1-2H3;5-11,14-16,18,23,27-28H,3-4,12-13,17,19-22H2,1-2H3;1-2,4-11,19,21-22H,3,12-18,20,36H2.

What are the key properties of 1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine?

1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine has a molecular weight of 2152.55 g/mol, XLogP of 31.47, 37 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-ethylphenyl)indole;1-butyl-5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)indole;5-[[8-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-3-(4-methoxyphenyl)-1-pentylindole;3-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine is sourced from PubChem (CID 159391875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).