benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]

C79H117N7O2 — CID 158719765

About benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]

benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine] (PubChem CID 158719765) has the molecular formula C79H117N7O2 and a molecular weight of 1196.85 g/mol. Its IUPAC name is benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine].

Molecular Properties

• Compound Name: benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]
• PubChem CID: 158719765
• Molecular Formula: C79H117N7O2
• Molecular Weight: 1196.85 g/mol
• Exact Mass: 1195.93
• IUPAC Name: benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]
• SMILES: CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21.CC(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC1(C)CN(C(C)(C)C)c2ccccc21
• InChI: InChI=1S/C24H30N2O2.C21H34N2.C20H32N2.C14H21N/c1-23(2,3)26-18-24(20-11-7-8-12-21(20)26)13-15-25(16-14-24)22(27)28-17-19-9-5-4-6-10-19;1-19(2,3)15-22-13-11-21(12-14-22)16-23(20(4,5)6)18-10-8-7-9-17(18)21;1-16(2)14-21-12-10-20(11-13-21)15-22(19(3,4)5)18-9-7-6-8-17(18)20;1-13(2,3)15-10-14(4,5)11-8-6-7-9-12(11)15/h4-12H,13-18H2,1-3H3;7-10H,11-16H2,1-6H3;6-9,16H,10-15H2,1-5H3;6-9H,10H2,1-5H3
• InChIKey: IJTOJAPOBVWRME-UHFFFAOYSA-N
• XLogP: 17.54
• TPSA: 48.98 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1196.85
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]?

The IUPAC name of benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine] (CID 158719765) is benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine].

What is the SMILES notation for benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]?

The canonical SMILES for benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine] is CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21.CC(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC1(C)CN(C(C)(C)C)c2ccccc21.

What is the InChIKey of benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]?

The InChIKey is IJTOJAPOBVWRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2.C21H34N2.C20H32N2.C14H21N/c1-23(2,3)26-18-24(20-11-7-8-12-21(20)26)13-15-25(16-14-24)22(27)28-17-19-9-5-4-6-10-19;1-19(2,3)15-22-13-11-21(12-14-22)16-23(20(4,5)6)18-10-8-7-9-17(18)21;1-16(2)14-21-12-10-20(11-13-21)15-22(19(3,4)5)18-9-7-6-8-17(18)20;1-13(2,3)15-10-14(4,5)11-8-6-7-9-12(11)15/h4-12H,13-18H2,1-3H3;7-10H,11-16H2,1-6H3;6-9,16H,10-15H2,1-5H3;6-9H,10H2,1-5H3.

What are the key properties of benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]?

benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine] has a molecular weight of 1196.85 g/mol, XLogP of 17.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 158719765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).