1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole

C108H133F3N10O2 — CID 157444517

About 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole

1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 157444517) has the molecular formula C108H133F3N10O2 and a molecular weight of 1660.31 g/mol. Its IUPAC name is 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 157444517
• Molecular Formula: C108H133F3N10O2
• Molecular Weight: 1660.31 g/mol
• Exact Mass: 1659.06
• IUPAC Name: 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole
• SMILES: C=CCC1(C)CN(C)CCC1=O.C=CCC1(C)CN(C)Cc2c1[nH]c1ccc(C)cc21.C=CCC1(C)CN(C)Cc2c1n(CC(=C)c1ccc(F)cc1)c1ccc(C)cc21.CC1CN(C)CCC1=O.Cc1ccc2c(c1)c1c3n2CC(c2ccc(F)cc2)=CCC3(C)CN(C)C1.Cc1ccc2c(c1)c1c3n2CC(c2ccc(F)cc2)CCC3(C)CN(C)C1
• InChI: InChI=1S/C26H29FN2.C24H27FN2.C24H25FN2.C17H22N2.C10H17NO.C7H13NO/c1-6-13-26(4)17-28(5)16-23-22-14-18(2)7-12-24(22)29(25(23)26)15-19(3)20-8-10-21(27)11-9-20;2*1-16-4-9-22-20(12-16)21-14-26(3)15-24(2)11-10-18(13-27(22)23(21)24)17-5-7-19(25)8-6-17;1-5-8-17(3)11-19(4)10-14-13-9-12(2)6-7-15(13)18-16(14)17;1-4-6-10(2)8-11(3)7-5-9(10)12;1-6-5-8(2)4-3-7(6)9/h6-12,14H,1,3,13,15-17H2,2,4-5H3;4-9,12,18H,10-11,13-15H2,1-3H3;4-10,12H,11,13-15H2,1-3H3;5-7,9,18H,1,8,10-11H2,2-4H3;4H,1,5-8H2,2-3H3;6H,3-5H2,1-2H3
• InChIKey: BSBFYPCTBJYEFT-UHFFFAOYSA-N
• XLogP: 22.49
• TPSA: 84.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1660.31
LogP ≤ 5	22.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole (CID 157444517) is 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole is C=CCC1(C)CN(C)CCC1=O.C=CCC1(C)CN(C)Cc2c1[nH]c1ccc(C)cc21.C=CCC1(C)CN(C)Cc2c1n(CC(=C)c1ccc(F)cc1)c1ccc(C)cc21.CC1CN(C)CCC1=O.Cc1ccc2c(c1)c1c3n2CC(c2ccc(F)cc2)=CCC3(C)CN(C)C1.Cc1ccc2c(c1)c1c3n2CC(c2ccc(F)cc2)CCC3(C)CN(C)C1.

What is the InChIKey of 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is BSBFYPCTBJYEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2.C24H27FN2.C24H25FN2.C17H22N2.C10H17NO.C7H13NO/c1-6-13-26(4)17-28(5)16-23-22-14-18(2)7-12-24(22)29(25(23)26)15-19(3)20-8-10-21(27)11-9-20;2*1-16-4-9-22-20(12-16)21-14-26(3)15-24(2)11-10-18(13-27(22)23(21)24)17-5-7-19(25)8-6-17;1-5-8-17(3)11-19(4)10-14-13-9-12(2)6-7-15(13)18-16(14)17;1-4-6-10(2)8-11(3)7-5-9(10)12;1-6-5-8(2)4-3-7(6)9/h6-12,14H,1,3,13,15-17H2,2,4-5H3;4-9,12,18H,10-11,13-15H2,1-3H3;4-10,12H,11,13-15H2,1-3H3;5-7,9,18H,1,8,10-11H2,2-4H3;4H,1,5-8H2,2-3H3;6H,3-5H2,1-2H3.

What are the key properties of 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole?

1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1660.31 g/mol, XLogP of 22.49, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethylpiperidin-4-one;1,3-dimethyl-3-prop-2-enylpiperidin-4-one;5-[2-(4-fluorophenyl)prop-2-enyl]-2,4,8-trimethyl-4-prop-2-enyl-1,3-dihydropyrido[4,3-b]indole;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),7,11(16),12,14-pentaene;8-(4-fluorophenyl)-3,5,14-trimethyl-3,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11(16),12,14-tetraene;2,4,8-trimethyl-4-prop-2-enyl-3,5-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 157444517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).