bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine)

C155H174Cl13N37O8S — CID 158243361

About bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine)

bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine) (PubChem CID 158243361) has the molecular formula C155H174Cl13N37O8S and a molecular weight of 3176.30 g/mol. Its IUPAC name is bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine).

Molecular Properties

• Compound Name: bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine)
• PubChem CID: 158243361
• Molecular Formula: C155H174Cl13N37O8S
• Molecular Weight: 3176.30 g/mol
• Exact Mass: 3168.00
• IUPAC Name: bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine)
• SMILES: C1CCNCC1.C1CCNCC1.C1CCNCC1.C1CCOC1.CC(C)(C)OC(=O)N1CCCCC1.CC(C)(C)OC(=O)N1CCCCC1.CN.CN=C=O.CNc1ncnc2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1.CNc1ncnc2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1.CNc1ncnc2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1.CNc1ncnc2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1.CNc1ncnc2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1.CS(=O)(=O)N1CCCCC1.Clc1ccc(-n2c(-c3ccccc3Cl)nc3c(Cl)ncnc32)cc1
• InChI: InChI=1S/5C18H13Cl2N5.C17H9Cl3N4.2C10H19NO2.C6H13NO2S.3C5H11N.C4H8O.C2H3NO.CH5N/c5*1-21-16-15-18(23-10-22-16)25(12-8-6-11(19)7-9-12)17(24-15)13-4-2-3-5-14(13)20;18-10-5-7-11(8-6-10)24-16(12-3-1-2-4-13(12)19)23-14-15(20)21-9-22-17(14)24;2*1-10(2,3)13-9(12)11-7-5-4-6-8-11;1-10(8,9)7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-3-2-4;1-2/h5*2-10H,1H3,(H,21,22,23);1-9H;2*4-8H2,1-3H3;2-6H2,1H3;3*6H,1-5H2;1-4H2;1H3;2H2,1H3
• InChIKey: GFVADDZKLUXDBV-UHFFFAOYSA-N
• XLogP: 37.45
• TPSA: 518.98 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 18
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3176.30
LogP ≤ 5	37.45
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine)?

The IUPAC name of bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine) (CID 158243361) is bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine).

What is the SMILES notation for bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine)?

The canonical SMILES for bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine) is C1CCNCC1.C1CCNCC1.C1CCNCC1.C1CCOC1.CC(C)(C)OC(=O)N1CCCCC1.CC(C)(C)OC(=O)N1CCCCC1.CN.CN=C=O.CNc1ncnc2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1.CNc1ncnc2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1.CNc1ncnc2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1.CNc1ncnc2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1.CNc1ncnc2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1.CS(=O)(=O)N1CCCCC1.Clc1ccc(-n2c(-c3ccccc3Cl)nc3c(Cl)ncnc32)cc1.

What is the InChIKey of bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine)?

The InChIKey is GFVADDZKLUXDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/5C18H13Cl2N5.C17H9Cl3N4.2C10H19NO2.C6H13NO2S.3C5H11N.C4H8O.C2H3NO.CH5N/c5*1-21-16-15-18(23-10-22-16)25(12-8-6-11(19)7-9-12)17(24-15)13-4-2-3-5-14(13)20;18-10-5-7-11(8-6-10)24-16(12-3-1-2-4-13(12)19)23-14-15(20)21-9-22-17(14)24;2*1-10(2,3)13-9(12)11-7-5-4-6-8-11;1-10(8,9)7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-3-2-4;1-2/h5*2-10H,1H3,(H,21,22,23);1-9H;2*4-8H2,1-3H3;2-6H2,1H3;3*6H,1-5H2;1-4H2;1H3;2H2,1H3.

What are the key properties of bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine)?

bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine) has a molecular weight of 3176.30 g/mol, XLogP of 37.45, 18 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine) is sourced from PubChem (CID 158243361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).