tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride

C145H153Cl3F8N13O21PS — CID 167562423

About tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride

tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride (PubChem CID 167562423) has the molecular formula C145H153Cl3F8N13O21PS and a molecular weight of 2735.27 g/mol. Its IUPAC name is tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride.

Molecular Properties

• Compound Name: tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride
• PubChem CID: 167562423
• Molecular Formula: C145H153Cl3F8N13O21PS
• Molecular Weight: 2735.27 g/mol
• Exact Mass: 2731.97
• IUPAC Name: tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride
• SMILES: C.CC(C)(C)OC(=O)N1CCC(=Cc2cccc(Oc3ccc(F)cn3)c2)CC1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCOP(=O)(Cc1cccc(Oc2ccc(F)cn2)c1)OCC.Fc1ccc(F)nc1.Fc1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1.Fc1ccc(Oc2cccc(CCl)c2)nc1.O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(F)cn3)c2)CC1.O=C(N[C@@H]1C[C@H]1c1ccccc1)Oc1ccccc1.O=S(Cl)Cl.OCc1cccc(O)c1.OCc1cccc(Oc2ccc(F)cn2)c1
• InChI: InChI=1S/C27H26FN3O2.C22H25FN2O3.C17H17FN2O.C16H19FNO4P.C16H15NO2.C12H9ClFNO.C12H10FNO2.C10H17NO3.C7H8O2.C5H3F2N.CH4.Cl2OS/c28-22-9-10-26(29-18-22)33-23-8-4-5-20(16-23)15-19-11-13-31(14-12-19)27(32)30-25-17-24(25)21-6-2-1-3-7-21;1-22(2,3)28-21(26)25-11-9-16(10-12-25)13-17-5-4-6-19(14-17)27-20-8-7-18(23)15-24-20;18-15-4-5-17(20-12-15)21-16-3-1-2-14(11-16)10-13-6-8-19-9-7-13;1-3-20-23(19,21-4-2)12-13-6-5-7-15(10-13)22-16-9-8-14(17)11-18-16;18-16(19-13-9-5-2-6-10-13)17-15-11-14(15)12-7-3-1-4-8-12;13-7-9-2-1-3-11(6-9)16-12-5-4-10(14)8-15-12;13-10-4-5-12(14-7-10)16-11-3-1-2-9(6-11)8-15;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;8-5-6-2-1-3-7(9)4-6;6-4-1-2-5(7)8-3-4;;1-4(2)3/h1-10,15-16,18,24-25H,11-14,17H2,(H,30,32);4-8,13-15H,9-12H2,1-3H3;1-5,10-12,19H,6-9H2;5-11H,3-4,12H2,1-2H3;1-10,14-15H,11H2,(H,17,18);1-6,8H,7H2;1-7,15H,8H2;4-7H2,1-3H3;1-4,8-9H,5H2;1-3H;1H4;/t24-,25+;;;;14-,15+;;;;;;;/m0...0......./s1
• InChIKey: DVKDLAGEUIRUPZ-TZXRERFWSA-N
• XLogP: 34.84
• TPSA: 417.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2735.27
LogP ≤ 5	34.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride?

The IUPAC name of tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride (CID 167562423) is tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride.

What is the SMILES notation for tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride?

The canonical SMILES for tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride is C.CC(C)(C)OC(=O)N1CCC(=Cc2cccc(Oc3ccc(F)cn3)c2)CC1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCOP(=O)(Cc1cccc(Oc2ccc(F)cn2)c1)OCC.Fc1ccc(F)nc1.Fc1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1.Fc1ccc(Oc2cccc(CCl)c2)nc1.O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(F)cn3)c2)CC1.O=C(N[C@@H]1C[C@H]1c1ccccc1)Oc1ccccc1.O=S(Cl)Cl.OCc1cccc(O)c1.OCc1cccc(Oc2ccc(F)cn2)c1.

What is the InChIKey of tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride?

The InChIKey is DVKDLAGEUIRUPZ-TZXRERFWSA-N. The full InChI is InChI=1S/C27H26FN3O2.C22H25FN2O3.C17H17FN2O.C16H19FNO4P.C16H15NO2.C12H9ClFNO.C12H10FNO2.C10H17NO3.C7H8O2.C5H3F2N.CH4.Cl2OS/c28-22-9-10-26(29-18-22)33-23-8-4-5-20(16-23)15-19-11-13-31(14-12-19)27(32)30-25-17-24(25)21-6-2-1-3-7-21;1-22(2,3)28-21(26)25-11-9-16(10-12-25)13-17-5-4-6-19(14-17)27-20-8-7-18(23)15-24-20;18-15-4-5-17(20-12-15)21-16-3-1-2-14(11-16)10-13-6-8-19-9-7-13;1-3-20-23(19,21-4-2)12-13-6-5-7-15(10-13)22-16-9-8-14(17)11-18-16;18-16(19-13-9-5-2-6-10-13)17-15-11-14(15)12-7-3-1-4-8-12;13-7-9-2-1-3-11(6-9)16-12-5-4-10(14)8-15-12;13-10-4-5-12(14-7-10)16-11-3-1-2-9(6-11)8-15;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;8-5-6-2-1-3-7(9)4-6;6-4-1-2-5(7)8-3-4;;1-4(2)3/h1-10,15-16,18,24-25H,11-14,17H2,(H,30,32);4-8,13-15H,9-12H2,1-3H3;1-5,10-12,19H,6-9H2;5-11H,3-4,12H2,1-2H3;1-10,14-15H,11H2,(H,17,18);1-6,8H,7H2;1-7,15H,8H2;4-7H2,1-3H3;1-4,8-9H,5H2;1-3H;1H4;/t24-,25+;;;;14-,15+;;;;;;;/m0...0......./s1.

What are the key properties of tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride?

tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride has a molecular weight of 2735.27 g/mol, XLogP of 34.84, 29 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]-5-fluoropyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]-5-fluoropyridine;2,5-difluoropyridine;5-fluoro-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methanol;4-[[3-[(5-fluoro-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;3-(hydroxymethyl)phenol;methane;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate;thionyl dichloride is sourced from PubChem (CID 167562423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).