2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone

C118H126F11N13O6 — CID 157088342

About 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone

2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone (PubChem CID 157088342) has the molecular formula C118H126F11N13O6 and a molecular weight of 2031.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone
• PubChem CID: 157088342
• Molecular Formula: C118H126F11N13O6
• Molecular Weight: 2031.37 g/mol
• Exact Mass: 2029.98
• IUPAC Name: 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone
• SMILES: CN(C)C(c1cccc2c(C(=O)C(F)(F)F)c[nH]c12)C1CCN(CCc2ccc(F)cc2)CC1.N#Cc1c[nH]c2c(C(=O)C3CCN(CCc4ccc(F)cc4)CC3)cccc12.N#Cc1c[nH]c2c(C(O)C3CCN(CCc4ccc(F)cc4)CC3)cccc12.O=C(c1c[nH]c2c(C(O)C3CCN(CCc4ccc(F)cc4)CC3)cccc12)C(F)(F)F.OC(c1cccc2c1NCC2)C1CCN(CCc2ccc(F)cc2)CC1
• InChI: InChI=1S/C26H29F4N3O.C24H24F4N2O2.C23H24FN3O.C23H22FN3O.C22H27FN2O/c1-32(2)24(18-11-14-33(15-12-18)13-10-17-6-8-19(27)9-7-17)21-5-3-4-20-22(16-31-23(20)21)25(34)26(28,29)30;25-17-6-4-15(5-7-17)8-11-30-12-9-16(10-13-30)22(31)19-3-1-2-18-20(14-29-21(18)19)23(32)24(26,27)28;2*24-19-6-4-16(5-7-19)8-11-27-12-9-17(10-13-27)23(28)21-3-1-2-20-18(14-25)15-26-22(20)21;23-19-6-4-16(5-7-19)9-13-25-14-10-18(11-15-25)22(26)20-3-1-2-17-8-12-24-21(17)20/h3-9,16,18,24,31H,10-15H2,1-2H3;1-7,14,16,22,29,31H,8-13H2;1-7,15,17,23,26,28H,8-13H2;1-7,15,17,26H,8-13H2;1-7,18,22,24,26H,8-15H2
• InChIKey: AEIWOBRLNRWXLP-UHFFFAOYSA-N
• XLogP: 22.91
• TPSA: 254.11 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 28
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2031.37
LogP ≤ 5	22.91
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone?

The IUPAC name of 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone (CID 157088342) is 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone.

What is the SMILES notation for 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone?

The canonical SMILES for 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone is CN(C)C(c1cccc2c(C(=O)C(F)(F)F)c[nH]c12)C1CCN(CCc2ccc(F)cc2)CC1.N#Cc1c[nH]c2c(C(=O)C3CCN(CCc4ccc(F)cc4)CC3)cccc12.N#Cc1c[nH]c2c(C(O)C3CCN(CCc4ccc(F)cc4)CC3)cccc12.O=C(c1c[nH]c2c(C(O)C3CCN(CCc4ccc(F)cc4)CC3)cccc12)C(F)(F)F.OC(c1cccc2c1NCC2)C1CCN(CCc2ccc(F)cc2)CC1.

What is the InChIKey of 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone?

The InChIKey is AEIWOBRLNRWXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F4N3O.C24H24F4N2O2.C23H24FN3O.C23H22FN3O.C22H27FN2O/c1-32(2)24(18-11-14-33(15-12-18)13-10-17-6-8-19(27)9-7-17)21-5-3-4-20-22(16-31-23(20)21)25(34)26(28,29)30;25-17-6-4-15(5-7-17)8-11-30-12-9-16(10-13-30)22(31)19-3-1-2-18-20(14-29-21(18)19)23(32)24(26,27)28;2*24-19-6-4-16(5-7-19)8-11-27-12-9-17(10-13-27)23(28)21-3-1-2-20-18(14-25)15-26-22(20)21;23-19-6-4-16(5-7-19)9-13-25-14-10-18(11-15-25)22(26)20-3-1-2-17-8-12-24-21(17)20/h3-9,16,18,24,31H,10-15H2,1-2H3;1-7,14,16,22,29,31H,8-13H2;1-7,15,17,23,26,28H,8-13H2;1-7,15,17,26H,8-13H2;1-7,18,22,24,26H,8-15H2.

What are the key properties of 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone?

2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone has a molecular weight of 2031.37 g/mol, XLogP of 22.91, 28 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol;1-[7-[dimethylamino-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone;7-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-1H-indole-3-carbonitrile;7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indole-3-carbonitrile;2,2,2-trifluoro-1-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-1H-indol-3-yl]ethanone is sourced from PubChem (CID 157088342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).