tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride

C137H148Cl3FN13O19PS — CID 167607750

About tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride

tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride (PubChem CID 167607750) has the molecular formula C137H148Cl3FN13O19PS and a molecular weight of 2469.16 g/mol. Its IUPAC name is tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride.

Molecular Properties

• Compound Name: tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride
• PubChem CID: 167607750
• Molecular Formula: C137H148Cl3FN13O19PS
• Molecular Weight: 2469.16 g/mol
• Exact Mass: 2465.95
• IUPAC Name: tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride
• SMILES: C(=C1CCNCC1)c1cccc(Oc2ccccn2)c1.CC(C)(C)OC(=O)N1CCC(=Cc2cccc(Oc3ccccn3)c2)CC1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCOP(=O)(Cc1cccc(Oc2ccccn2)c1)OCC.ClCc1cccc(Oc2ccccn2)c1.Fc1ccccn1.O=C(NC1CC1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccccn3)c2)CC1.O=C(NC1CC1c1ccccc1)Oc1ccccc1.O=S(Cl)Cl.OCc1cccc(Oc2ccccn2)c1
• InChI: InChI=1S/C27H27N3O2.C22H26N2O3.C17H18N2O.C16H20NO4P.C16H15NO2.C12H10ClNO.C12H11NO2.C10H17NO3.C5H4FN.Cl2OS/c31-27(29-25-19-24(25)22-8-2-1-3-9-22)30-15-12-20(13-16-30)17-21-7-6-10-23(18-21)32-26-11-4-5-14-28-26;1-22(2,3)27-21(25)24-13-10-17(11-14-24)15-18-7-6-8-19(16-18)26-20-9-4-5-12-23-20;1-2-9-19-17(6-1)20-16-5-3-4-15(13-16)12-14-7-10-18-11-8-14;1-3-19-22(18,20-4-2)13-14-8-7-9-15(12-14)21-16-10-5-6-11-17-16;18-16(19-13-9-5-2-6-10-13)17-15-11-14(15)12-7-3-1-4-8-12;13-9-10-4-3-5-11(8-10)15-12-6-1-2-7-14-12;14-9-10-4-3-5-11(8-10)15-12-6-1-2-7-13-12;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;6-5-3-1-2-4-7-5;1-4(2)3/h1-11,14,17-18,24-25H,12-13,15-16,19H2,(H,29,31);4-9,12,15-16H,10-11,13-14H2,1-3H3;1-6,9,12-13,18H,7-8,10-11H2;5-12H,3-4,13H2,1-2H3;1-10,14-15H,11H2,(H,17,18);1-8H,9H2;1-8,14H,9H2;4-7H2,1-3H3;1-4H
• InChIKey: KPRHRPNYSHSVSH-UHFFFAOYSA-N
• XLogP: 32.35
• TPSA: 377.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2469.16
LogP ≤ 5	32.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

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-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride?

The IUPAC name of tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride (CID 167607750) is tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride.

What is the SMILES notation for tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride?

The canonical SMILES for tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride is C(=C1CCNCC1)c1cccc(Oc2ccccn2)c1.CC(C)(C)OC(=O)N1CCC(=Cc2cccc(Oc3ccccn3)c2)CC1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCOP(=O)(Cc1cccc(Oc2ccccn2)c1)OCC.ClCc1cccc(Oc2ccccn2)c1.Fc1ccccn1.O=C(NC1CC1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccccn3)c2)CC1.O=C(NC1CC1c1ccccc1)Oc1ccccc1.O=S(Cl)Cl.OCc1cccc(Oc2ccccn2)c1.

What is the InChIKey of tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride?

The InChIKey is KPRHRPNYSHSVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2.C22H26N2O3.C17H18N2O.C16H20NO4P.C16H15NO2.C12H10ClNO.C12H11NO2.C10H17NO3.C5H4FN.Cl2OS/c31-27(29-25-19-24(25)22-8-2-1-3-9-22)30-15-12-20(13-16-30)17-21-7-6-10-23(18-21)32-26-11-4-5-14-28-26;1-22(2,3)27-21(25)24-13-10-17(11-14-24)15-18-7-6-8-19(16-18)26-20-9-4-5-12-23-20;1-2-9-19-17(6-1)20-16-5-3-4-15(13-16)12-14-7-10-18-11-8-14;1-3-19-22(18,20-4-2)13-14-8-7-9-15(12-14)21-16-10-5-6-11-17-16;18-16(19-13-9-5-2-6-10-13)17-15-11-14(15)12-7-3-1-4-8-12;13-9-10-4-3-5-11(8-10)15-12-6-1-2-7-14-12;14-9-10-4-3-5-11(8-10)15-12-6-1-2-7-13-12;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;6-5-3-1-2-4-7-5;1-4(2)3/h1-11,14,17-18,24-25H,12-13,15-16,19H2,(H,29,31);4-9,12,15-16H,10-11,13-14H2,1-3H3;1-6,9,12-13,18H,7-8,10-11H2;5-12H,3-4,13H2,1-2H3;1-10,14-15H,11H2,(H,17,18);1-8H,9H2;1-8,14H,9H2;4-7H2,1-3H3;1-4H;.

What are the key properties of tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride?

tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride has a molecular weight of 2469.16 g/mol, XLogP of 32.35, 28 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxylate;2-[3-(chloromethyl)phenoxy]pyridine;2-[3-(diethoxyphosphorylmethyl)phenoxy]pyridine;2-fluoropyridine;N-(2-phenylcyclopropyl)-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;phenyl N-(2-phenylcyclopropyl)carbamate;2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;(3-pyridin-2-yloxyphenyl)methanol;thionyl dichloride is sourced from PubChem (CID 167607750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).