1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one

C76H89F3N6O7 — CID 159349839

About 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one

1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one (PubChem CID 159349839) has the molecular formula C76H89F3N6O7 and a molecular weight of 1255.58 g/mol. Its IUPAC name is 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one.

Molecular Properties

• Compound Name: 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one
• PubChem CID: 159349839
• Molecular Formula: C76H89F3N6O7
• Molecular Weight: 1255.58 g/mol
• Exact Mass: 1254.67
• IUPAC Name: 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one
• SMILES: CC(=O)c1cn(CC(C)CN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.CC(=O)c1cn(CC(O)CN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12
• InChI: InChI=1S/C27H33FN2O2.C25H29FN2O2.C24H27FN2O3/c1-20(2)18-27(31)25-19-30(26-7-4-3-6-24(25)26)15-5-14-29-16-12-23(13-17-29)32-22-10-8-21(28)9-11-22;1-18(16-28-17-24(19(2)29)23-5-3-4-6-25(23)28)15-27-13-11-22(12-14-27)30-21-9-7-20(26)8-10-21;1-17(28)23-16-27(24-5-3-2-4-22(23)24)15-19(29)14-26-12-10-21(11-13-26)30-20-8-6-18(25)7-9-20/h3-4,6-11,19-20,23H,5,12-18H2,1-2H3;3-10,17-18,22H,11-16H2,1-2H3;2-9,16,19,21,29H,10-15H2,1H3
• InChIKey: LHEOLTBRTNZUIM-UHFFFAOYSA-N
• XLogP: 14.99
• TPSA: 123.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 23
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1255.58
LogP ≤ 5	14.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one?

The IUPAC name of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one (CID 159349839) is 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one.

What is the SMILES notation for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one?

The canonical SMILES for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one is CC(=O)c1cn(CC(C)CN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.CC(=O)c1cn(CC(O)CN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.CC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.

What is the InChIKey of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one?

The InChIKey is LHEOLTBRTNZUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O2.C25H29FN2O2.C24H27FN2O3/c1-20(2)18-27(31)25-19-30(26-7-4-3-6-24(25)26)15-5-14-29-16-12-23(13-17-29)32-22-10-8-21(28)9-11-22;1-18(16-28-17-24(19(2)29)23-5-3-4-6-25(23)28)15-27-13-11-22(12-14-27)30-21-9-7-20(26)8-10-21;1-17(28)23-16-27(24-5-3-2-4-22(23)24)15-19(29)14-26-12-10-21(11-13-26)30-20-8-6-18(25)7-9-20/h3-4,6-11,19-20,23H,5,12-18H2,1-2H3;3-10,17-18,22H,11-16H2,1-2H3;2-9,16,19,21,29H,10-15H2,1H3.

What are the key properties of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one?

1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one has a molecular weight of 1255.58 g/mol, XLogP of 14.99, 23 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one is sourced from PubChem (CID 159349839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).