1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine

C₉₀H₁₁₅F₈N₁₃O₂S₂ — CID 158518793

About 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine

1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine (PubChem CID 158518793) has the molecular formula C₉₀H₁₁₅F₈N₁₃O₂S₂ and a molecular weight of 1627.12 g/mol. Its IUPAC name is 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

• Compound Name: 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
• PubChem CID: 158518793
• Molecular Formula: C₉₀H₁₁₅F₈N₁₃O₂S₂
• Molecular Weight: 1627.12 g/mol
• Exact Mass: 1625.86
• IUPAC Name: 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
• SMILES: CC(C)N1CCC(NC2CCN(c3cccc(C4=Cc5cc(S(C)(=O)=O)ccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)c3)CC2)CC1.FC(F)(F)[C@H](c1ccccc1)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
• InChI: InChI=1S/C33H38F3N5.C29H39N3O2S.C28H38F5N5S/c34-33(35,36)32(25-7-2-1-3-8-25)41-21-19-39(20-22-41)18-15-37-28-13-16-40(17-14-28)29-11-6-10-26(23-29)31-24-27-9-4-5-12-30(27)38-31;1-21(2)31-13-9-26(10-14-31)30-27-11-15-32(16-12-27)28-6-4-5-22(19-28)24-17-23-7-8-29(35(3,33)34)20-25(23)18-24;1-21(2)37-16-14-36(15-17-37)13-10-34-24-8-11-38(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(6-7-27(23)35-28)39(29,30,31,32)33/h1-12,23-24,28,32,37-38H,13-22H2;4-8,18-21,26-27,30H,9-17H2,1-3H3;3-7,18-21,24,34-35H,8-17H2,1-2H3/t32-;;/m0../s1
• InChIKey: HLYQANBBHIXWSK-GDCSGTLQSA-N
• XLogP: 18.01
• TPSA: 127.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1627.12
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?

The IUPAC name of 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine (CID 158518793) is 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine.

What is the SMILES notation for 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?

The canonical SMILES for 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine is CC(C)N1CCC(NC2CCN(c3cccc(C4=Cc5cc(S(C)(=O)=O)ccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)c3)CC2)CC1.FC(F)(F)[C@H](c1ccccc1)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.

What is the InChIKey of 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?

The InChIKey is HLYQANBBHIXWSK-GDCSGTLQSA-N. The full InChI is InChI=1S/C33H38F3N5.C29H39N3O2S.C28H38F5N5S/c34-33(35,36)32(25-7-2-1-3-8-25)41-21-19-39(20-22-41)18-15-37-28-13-16-40(17-14-28)29-11-6-10-26(23-29)31-24-27-9-4-5-12-30(27)38-31;1-21(2)31-13-9-26(10-14-31)30-27-11-15-32(16-12-27)28-6-4-5-22(19-28)24-17-23-7-8-29(35(3,33)34)20-25(23)18-24;1-21(2)37-16-14-36(15-17-37)13-10-34-24-8-11-38(12-9-24)25-5-3-4-22(18-25)28-20-23-19-26(6-7-27(23)35-28)39(29,30,31,32)33/h1-12,23-24,28,32,37-38H,13-22H2;4-8,18-21,26-27,30H,9-17H2,1-3H3;3-7,18-21,24,34-35H,8-17H2,1-2H3/t32-;;/m0../s1.

What are the key properties of 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?

1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 1627.12 g/mol, XLogP of 18.01, 22 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-[(1S)-2,2,2-trifluoro-1-phenylethyl]piperazin-1-yl]ethyl]piperidin-4-amine;1-[3-(5-methylsulfonyl-1H-inden-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;1-[3-[5-(pentafluoro-λ6-sulfanyl)-1H-indol-2-yl]phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 158518793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158518793 — identifiers, structure, computed properties (public domain)

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