1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine

C109H136ClFN16 — CID 157083644

About 1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine

1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 157083644) has the molecular formula C109H136ClFN16 and a molecular weight of 1724.85 g/mol. Its IUPAC name is 1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

• Compound Name: 1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
• PubChem CID: 157083644
• Molecular Formula: C109H136ClFN16
• Molecular Weight: 1724.85 g/mol
• Exact Mass: 1723.08
• IUPAC Name: 1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
• SMILES: CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCC(N(C)C)CC3)cccc21.CCn1c(C#CCNc2ccc(Cl)cc2)cc2c(CN3CCC(N(C)C)CC3)cccc21.CCn1c(C#CCNc2ccc(F)cc2)cc2c(CN3CCC(N(C)C)CC3)cccc21.CCn1c(C#CCNc2ccccc2)cc2c(CN3CCC(N(C)C)CC3)cccc21
• InChI: InChI=1S/C28H36N4.C27H33ClN4.C27H33FN4.C27H34N4/c1-5-32-26(9-7-17-29-24-13-11-22(2)12-14-24)20-27-23(8-6-10-28(27)32)21-31-18-15-25(16-19-31)30(3)4;2*1-4-32-25(8-6-16-29-23-12-10-22(28)11-13-23)19-26-21(7-5-9-27(26)32)20-31-17-14-24(15-18-31)30(2)3;1-4-31-25(13-9-17-28-23-11-6-5-7-12-23)20-26-22(10-8-14-27(26)31)21-30-18-15-24(16-19-30)29(2)3/h6,8,10-14,20,25,29H,5,15-19,21H2,1-4H3;2*5,7,9-13,19,24,29H,4,14-18,20H2,1-3H3;5-8,10-12,14,20,24,28H,4,15-19,21H2,1-3H3
• InChIKey: ADVLUFMTCWSCRI-UHFFFAOYSA-N
• XLogP: 19.70
• TPSA: 93.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1724.85
LogP ≤ 5	19.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine?

The IUPAC name of 1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine (CID 157083644) is 1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine.

What is the SMILES notation for 1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine?

The canonical SMILES for 1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine is CCn1c(C#CCNc2ccc(C)cc2)cc2c(CN3CCC(N(C)C)CC3)cccc21.CCn1c(C#CCNc2ccc(Cl)cc2)cc2c(CN3CCC(N(C)C)CC3)cccc21.CCn1c(C#CCNc2ccc(F)cc2)cc2c(CN3CCC(N(C)C)CC3)cccc21.CCn1c(C#CCNc2ccccc2)cc2c(CN3CCC(N(C)C)CC3)cccc21.

What is the InChIKey of 1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine?

The InChIKey is ADVLUFMTCWSCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4.C27H33ClN4.C27H33FN4.C27H34N4/c1-5-32-26(9-7-17-29-24-13-11-22(2)12-14-24)20-27-23(8-6-10-28(27)32)21-31-18-15-25(16-19-31)30(3)4;2*1-4-32-25(8-6-16-29-23-12-10-22(28)11-13-23)19-26-21(7-5-9-27(26)32)20-31-17-14-24(15-18-31)30(2)3;1-4-31-25(13-9-17-28-23-11-6-5-7-12-23)20-26-22(10-8-14-27(26)31)21-30-18-15-24(16-19-30)29(2)3/h6,8,10-14,20,25,29H,5,15-19,21H2,1-4H3;2*5,7,9-13,19,24,29H,4,14-18,20H2,1-3H3;5-8,10-12,14,20,24,28H,4,15-19,21H2,1-3H3.

What are the key properties of 1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine?

1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 1724.85 g/mol, XLogP of 19.70, 24 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-(3-anilinoprop-1-ynyl)-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[2-[3-(4-chloroanilino)prop-1-ynyl]-1-ethylindol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-fluoroanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine;1-[[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 157083644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).