1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine

C140H159BrCl4F4I2N26O8S5 — CID 160889509

About 1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine

1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine (PubChem CID 160889509) has the molecular formula C140H159BrCl4F4I2N26O8S5 and a molecular weight of 3045.84 g/mol. Its IUPAC name is 1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine.

Molecular Properties

• Compound Name: 1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine
• PubChem CID: 160889509
• Molecular Formula: C140H159BrCl4F4I2N26O8S5
• Molecular Weight: 3045.84 g/mol
• Exact Mass: 3040.74
• IUPAC Name: 1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine
• SMILES: C1CCNCC1.ClCCBr.Clc1ccnc2cc(-c3cn(CCN4CCCCC4)cn3)sc12.Clc1ccnc2ccsc12.Ic1cn(CCN2CCCCC2)cn1.Ic1cnc[nH]1.NC1CC1.Nc1ccc(Oc2ccnc3cc(-c4cn(CCN5CCCCC5)cn4)sc23)c(F)c1.O=C(Cc1ccc(Oc2ccnc3cc(-c4cn(CCN5CCCCC5)cn4)sc23)c(F)c1)CC1CC1.O=C(Cc1ccc(Oc2ccnc3cc(-c4cn(CCN5CCNCC5)cn4)sc23)c(F)c1)CC1CC1.O=C(Cl)Oc1ccccc1.Oc1ccccc1F
• InChI: InChI=1S/C29H31FN4O2S.C28H30FN5O2S.C23H24FN5OS.C17H19ClN4S.C10H16IN3.C7H4ClNS.C7H5ClO2.C6H5FO.C5H11N.C3H3IN2.C3H7N.C2H4BrCl/c30-23-16-21(15-22(35)14-20-4-5-20)6-7-26(23)36-27-8-9-31-24-17-28(37-29(24)27)25-18-34(19-32-25)13-12-33-10-2-1-3-11-33;29-22-15-20(14-21(35)13-19-1-2-19)3-4-25(22)36-26-5-6-31-23-16-27(37-28(23)26)24-17-34(18-32-24)12-11-33-9-7-30-8-10-33;24-17-12-16(25)4-5-20(17)30-21-6-7-26-18-13-22(31-23(18)21)19-14-29(15-27-19)11-10-28-8-2-1-3-9-28;18-13-4-5-19-14-10-16(23-17(13)14)15-11-22(12-20-15)9-8-21-6-2-1-3-7-21;11-10-8-14(9-12-10)7-6-13-4-2-1-3-5-13;8-5-1-3-9-6-2-4-10-7(5)6;8-7(9)10-6-4-2-1-3-5-6;7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1;4-3-1-5-2-6-3;4-3-1-2-3;3-1-2-4/h6-9,16-20H,1-5,10-15H2;3-6,15-19,30H,1-2,7-14H2;4-7,12-15H,1-3,8-11,25H2;4-5,10-12H,1-3,6-9H2;8-9H,1-7H2;1-4H;1-5H;1-4,8H;6H,1-5H2;1-2H,(H,5,6);3H,1-2,4H2;1-2H2
• InChIKey: SOBRTAXZURTABN-UHFFFAOYSA-N
• XLogP: 33.24
• TPSA: 382.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 35
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3045.84
LogP ≤ 5	33.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine?

The IUPAC name of 1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine (CID 160889509) is 1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine.

What is the SMILES notation for 1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine?

The canonical SMILES for 1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine is C1CCNCC1.ClCCBr.Clc1ccnc2cc(-c3cn(CCN4CCCCC4)cn3)sc12.Clc1ccnc2ccsc12.Ic1cn(CCN2CCCCC2)cn1.Ic1cnc[nH]1.NC1CC1.Nc1ccc(Oc2ccnc3cc(-c4cn(CCN5CCCCC5)cn4)sc23)c(F)c1.O=C(Cc1ccc(Oc2ccnc3cc(-c4cn(CCN5CCCCC5)cn4)sc23)c(F)c1)CC1CC1.O=C(Cc1ccc(Oc2ccnc3cc(-c4cn(CCN5CCNCC5)cn4)sc23)c(F)c1)CC1CC1.O=C(Cl)Oc1ccccc1.Oc1ccccc1F.

What is the InChIKey of 1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine?

The InChIKey is SOBRTAXZURTABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O2S.C28H30FN5O2S.C23H24FN5OS.C17H19ClN4S.C10H16IN3.C7H4ClNS.C7H5ClO2.C6H5FO.C5H11N.C3H3IN2.C3H7N.C2H4BrCl/c30-23-16-21(15-22(35)14-20-4-5-20)6-7-26(23)36-27-8-9-31-24-17-28(37-29(24)27)25-18-34(19-32-25)13-12-33-10-2-1-3-11-33;29-22-15-20(14-21(35)13-19-1-2-19)3-4-25(22)36-26-5-6-31-23-16-27(37-28(23)26)24-17-34(18-32-24)12-11-33-9-7-30-8-10-33;24-17-12-16(25)4-5-20(17)30-21-6-7-26-18-13-22(31-23(18)21)19-14-29(15-27-19)11-10-28-8-2-1-3-9-28;18-13-4-5-19-14-10-16(23-17(13)14)15-11-22(12-20-15)9-8-21-6-2-1-3-7-21;11-10-8-14(9-12-10)7-6-13-4-2-1-3-5-13;8-5-1-3-9-6-2-4-10-7(5)6;8-7(9)10-6-4-2-1-3-5-6;7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1;4-3-1-5-2-6-3;4-3-1-2-3;3-1-2-4/h6-9,16-20H,1-5,10-15H2;3-6,15-19,30H,1-2,7-14H2;4-7,12-15H,1-3,8-11,25H2;4-5,10-12H,1-3,6-9H2;8-9H,1-7H2;1-4H;1-5H;1-4,8H;6H,1-5H2;1-2H,(H,5,6);3H,1-2,4H2;1-2H2.

What are the key properties of 1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine?

1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine has a molecular weight of 3045.84 g/mol, XLogP of 33.24, 35 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-chloroethane;7-chloro-2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperazin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluorophenol;3-fluoro-4-[2-[1-(2-piperidin-1-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;1-[2-(4-iodoimidazol-1-yl)ethyl]piperidine;phenyl carbonochloridate;piperidine is sourced from PubChem (CID 160889509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).