sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride

C114H147Cl2IN17NaO10S — CID 163827046

About sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride

sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride (PubChem CID 163827046) has the molecular formula C114H147Cl2IN17NaO10S and a molecular weight of 2168.41 g/mol. Its IUPAC name is sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride.

Molecular Properties

• Compound Name: sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride
• PubChem CID: 163827046
• Molecular Formula: C114H147Cl2IN17NaO10S
• Molecular Weight: 2168.41 g/mol
• Exact Mass: 2165.96
• IUPAC Name: sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride
• SMILES: CCCC1CCN(c2cccc(C)c2C)CC1.COC(=O)c1n[nH]c2ccccc12.Cc1cccc(I)c1C.Cc1cccc(N2CCC(CCO)CC2)c1C.Cc1cccc(N2CCC(CCn3nc(C(=O)N4CCCC4)c4ccccc43)CC2)c1C.O=C(O)c1n[nH]c2ccccc12.O=C(c1n[nH]c2ccccc12)N1CCCC1.O=C(c1n[nH]c2ccccc12)N1CCCC1.O=S(Cl)Cl.OCCC1CCNCC1.[H-].[Na+]
• InChI: InChI=1S/C27H34N4O.C16H25N.C15H23NO.2C12H13N3O.C9H8N2O2.C8H9I.C8H6N2O2.C7H15NO.Cl2OS.Na.H/c1-20-8-7-11-24(21(20)2)29-17-12-22(13-18-29)14-19-31-25-10-4-3-9-23(25)26(28-31)27(32)30-15-5-6-16-30;1-4-6-15-9-11-17(12-10-15)16-8-5-7-13(2)14(16)3;1-12-4-3-5-15(13(12)2)16-9-6-14(7-10-16)8-11-17;2*16-12(15-7-3-4-8-15)11-9-5-1-2-6-10(9)13-14-11;1-13-9(12)8-6-4-2-3-5-7(6)10-11-8;1-6-4-3-5-8(9)7(6)2;11-8(12)7-5-3-1-2-4-6(5)9-10-7;9-6-3-7-1-4-8-5-2-7;1-4(2)3;;/h3-4,7-11,22H,5-6,12-19H2,1-2H3;5,7-8,15H,4,6,9-12H2,1-3H3;3-5,14,17H,6-11H2,1-2H3;2*1-2,5-6H,3-4,7-8H2,(H,13,14);2-5H,1H3,(H,10,11);3-5H,1-2H3;1-4H,(H,9,10)(H,11,12);7-9H,1-6H2;;;/q;;;;;;;;;;+1;-1
• InChIKey: XEZLJVSUDZCJNZ-UHFFFAOYSA-N
• XLogP: 20.06
• TPSA: 336.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2168.41
LogP ≤ 5	20.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride?

The IUPAC name of sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride (CID 163827046) is sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride.

What is the SMILES notation for sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride?

The canonical SMILES for sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride is CCCC1CCN(c2cccc(C)c2C)CC1.COC(=O)c1n[nH]c2ccccc12.Cc1cccc(I)c1C.Cc1cccc(N2CCC(CCO)CC2)c1C.Cc1cccc(N2CCC(CCn3nc(C(=O)N4CCCC4)c4ccccc43)CC2)c1C.O=C(O)c1n[nH]c2ccccc12.O=C(c1n[nH]c2ccccc12)N1CCCC1.O=C(c1n[nH]c2ccccc12)N1CCCC1.O=S(Cl)Cl.OCCC1CCNCC1.[H-].[Na+].

What is the InChIKey of sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride?

The InChIKey is XEZLJVSUDZCJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O.C16H25N.C15H23NO.2C12H13N3O.C9H8N2O2.C8H9I.C8H6N2O2.C7H15NO.Cl2OS.Na.H/c1-20-8-7-11-24(21(20)2)29-17-12-22(13-18-29)14-19-31-25-10-4-3-9-23(25)26(28-31)27(32)30-15-5-6-16-30;1-4-6-15-9-11-17(12-10-15)16-8-5-7-13(2)14(16)3;1-12-4-3-5-15(13(12)2)16-9-6-14(7-10-16)8-11-17;2*16-12(15-7-3-4-8-15)11-9-5-1-2-6-10(9)13-14-11;1-13-9(12)8-6-4-2-3-5-7(6)10-11-8;1-6-4-3-5-8(9)7(6)2;11-8(12)7-5-3-1-2-4-6(5)9-10-7;9-6-3-7-1-4-8-5-2-7;1-4(2)3;;/h3-4,7-11,22H,5-6,12-19H2,1-2H3;5,7-8,15H,4,6,9-12H2,1-3H3;3-5,14,17H,6-11H2,1-2H3;2*1-2,5-6H,3-4,7-8H2,(H,13,14);2-5H,1H3,(H,10,11);3-5H,1-2H3;1-4H,(H,9,10)(H,11,12);7-9H,1-6H2;;;/q;;;;;;;;;;+1;-1.

What are the key properties of sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride?

sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride has a molecular weight of 2168.41 g/mol, XLogP of 20.06, 17 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride is sourced from PubChem (CID 163827046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).