3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane

C66H82Cl2N8O — CID 158488707

About 3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane

3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane (PubChem CID 158488707) has the molecular formula C66H82Cl2N8O and a molecular weight of 1074.34 g/mol. Its IUPAC name is 3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane.

Molecular Properties

• Compound Name: 3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane
• PubChem CID: 158488707
• Molecular Formula: C66H82Cl2N8O
• Molecular Weight: 1074.34 g/mol
• Exact Mass: 1072.60
• IUPAC Name: 3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane
• SMILES: C.COc1ccc(-c2cn(C(C)(C)CCN)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.Cc1ccc(-c2cn(C3CCC(N)CC3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1
• InChI: InChI=1S/C33H39ClN4.C32H39ClN4O.CH4/c1-24-6-9-26(10-7-24)31-23-38(29-13-11-28(35)12-14-29)33-15-8-25(20-30(31)33)21-36-16-18-37(19-17-36)22-27-4-2-3-5-32(27)34;1-32(2,14-15-34)37-23-29(25-9-11-27(38-3)12-10-25)28-20-24(8-13-31(28)37)21-35-16-18-36(19-17-35)22-26-6-4-5-7-30(26)33;/h2-10,15,20,23,28-29H,11-14,16-19,21-22,35H2,1H3;4-13,20,23H,14-19,21-22,34H2,1-3H3;1H4
• InChIKey: HIKUCUUBRPZTOZ-UHFFFAOYSA-N
• XLogP: 14.04
• TPSA: 84.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1074.34
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane?

The IUPAC name of 3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane (CID 158488707) is 3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane.

What is the SMILES notation for 3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane?

The canonical SMILES for 3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane is C.COc1ccc(-c2cn(C(C)(C)CCN)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.Cc1ccc(-c2cn(C3CCC(N)CC3)c3ccc(CN4CCN(Cc5ccccc5Cl)CC4)cc23)cc1.

What is the InChIKey of 3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane?

The InChIKey is HIKUCUUBRPZTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39ClN4.C32H39ClN4O.CH4/c1-24-6-9-26(10-7-24)31-23-38(29-13-11-28(35)12-14-29)33-15-8-25(20-30(31)33)21-36-16-18-37(19-17-36)22-27-4-2-3-5-32(27)34;1-32(2,14-15-34)37-23-29(25-9-11-27(38-3)12-10-25)28-20-24(8-13-31(28)37)21-35-16-18-36(19-17-35)22-26-6-4-5-7-30(26)33;/h2-10,15,20,23,28-29H,11-14,16-19,21-22,35H2,1H3;4-13,20,23H,14-19,21-22,34H2,1-3H3;1H4.

What are the key properties of 3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane?

3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane has a molecular weight of 1074.34 g/mol, XLogP of 14.04, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methoxyphenyl)indol-1-yl]-3-methylbutan-1-amine;4-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(4-methylphenyl)indol-1-yl]cyclohexan-1-amine;methane is sourced from PubChem (CID 158488707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).