tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine

C111H140F3N17O2 — CID 164994964

About tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine

tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine (PubChem CID 164994964) has the molecular formula C111H140F3N17O2 and a molecular weight of 1801.45 g/mol. Its IUPAC name is tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine
• PubChem CID: 164994964
• Molecular Formula: C111H140F3N17O2
• Molecular Weight: 1801.45 g/mol
• Exact Mass: 1800.13
• IUPAC Name: tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine
• SMILES: CC(C)(C)OC(=O)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cccc(F)c5[nH]4)c3)CC2)CC1.FC1(F)CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.c1ccc(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)cc1
• InChI: InChI=1S/C30H41N5O2.C28H38FN5.C27H29N3.C26H32F2N4/c1-30(2,3)37-29(36)35-19-17-33(18-20-35)16-13-31-25-11-14-34(15-12-25)26-9-6-8-23(21-26)28-22-24-7-4-5-10-27(24)32-28;1-21(2)33-17-15-32(16-18-33)14-11-30-24-9-12-34(13-10-24)25-7-3-5-22(19-25)27-20-23-6-4-8-26(29)28(23)31-27;1-2-7-21(8-3-1)13-16-28-24-14-17-30(18-15-24)25-11-6-10-22(19-25)27-20-23-9-4-5-12-26(23)29-27;27-26(28)10-15-31(16-11-26)17-12-29-22-8-13-32(14-9-22)23-6-3-5-20(18-23)25-19-21-4-1-2-7-24(21)30-25/h4-10,21-22,25,31-32H,11-20H2,1-3H3;3-8,19-21,24,30-31H,9-18H2,1-2H3;1-12,19-20,24,28-29H,13-18H2;1-7,18-19,22,29-30H,8-17H2
• InChIKey: HKPSUJSQQUVZSI-UHFFFAOYSA-N
• XLogP: 20.26
• TPSA: 166.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1801.45
LogP ≤ 5	20.26
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine?

The IUPAC name of tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine (CID 164994964) is tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine.

What is the SMILES notation for tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine?

The canonical SMILES for tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine is CC(C)(C)OC(=O)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cccc(F)c5[nH]4)c3)CC2)CC1.FC1(F)CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.c1ccc(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)cc1.

What is the InChIKey of tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine?

The InChIKey is HKPSUJSQQUVZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O2.C28H38FN5.C27H29N3.C26H32F2N4/c1-30(2,3)37-29(36)35-19-17-33(18-20-35)16-13-31-25-11-14-34(15-12-25)26-9-6-8-23(21-26)28-22-24-7-4-5-10-27(24)32-28;1-21(2)33-17-15-32(16-18-33)14-11-30-24-9-12-34(13-10-24)25-7-3-5-22(19-25)27-20-23-6-4-8-26(29)28(23)31-27;1-2-7-21(8-3-1)13-16-28-24-14-17-30(18-15-24)25-11-6-10-22(19-25)27-20-23-9-4-5-12-26(23)29-27;27-26(28)10-15-31(16-11-26)17-12-29-22-8-13-32(14-9-22)23-6-3-5-20(18-23)25-19-21-4-1-2-7-24(21)30-25/h4-10,21-22,25,31-32H,11-20H2,1-3H3;3-8,19-21,24,30-31H,9-18H2,1-2H3;1-12,19-20,24,28-29H,13-18H2;1-7,18-19,22,29-30H,8-17H2.

What are the key properties of tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine?

tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine has a molecular weight of 1801.45 g/mol, XLogP of 20.26, 25 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-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-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 164994964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).