1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]

C119H177N9O5 — CID 158091826

About 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]

1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane] (PubChem CID 158091826) has the molecular formula C119H177N9O5 and a molecular weight of 1813.78 g/mol. Its IUPAC name is 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane].

Molecular Properties

• Compound Name: 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
• PubChem CID: 158091826
• Molecular Formula: C119H177N9O5
• Molecular Weight: 1813.78 g/mol
• Exact Mass: 1812.39
• IUPAC Name: 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
• SMILES: CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CC2(CCCO2)c2ccccc21.CC(C)(C)N1CC2(CCOC2)c2ccccc21.CC(C)(C)N1CCC2(CCCO2)c2ccccc21.CC(C)(C)N1CCC2(CCOC2)c2ccccc21.CC(C)(C)N1CCC2(CCOCC2)c2ccccc21.CCN1CCC2(CC1)CCN(C(C)(C)C)c1ccccc12
• InChI: InChI=1S/C21H34N2.C19H30N2.C17H25NO.2C16H23NO.2C15H21NO/c1-19(2,3)15-22-13-11-21(12-14-22)16-23(20(4,5)6)18-10-8-7-9-17(18)21;1-5-20-13-10-19(11-14-20)12-15-21(18(2,3)4)17-9-7-6-8-16(17)19;1-16(2,3)18-11-8-17(9-12-19-13-10-17)14-6-4-5-7-15(14)18;1-15(2,3)17-11-10-16(9-6-12-18-16)13-7-4-5-8-14(13)17;1-15(2,3)17-10-8-16(9-11-18-12-16)13-6-4-5-7-14(13)17;1-14(2,3)16-11-15(9-6-10-17-15)12-7-4-5-8-13(12)16;1-14(2,3)16-10-15(8-9-17-11-15)12-6-4-5-7-13(12)16/h7-10H,11-16H2,1-6H3;6-9H,5,10-15H2,1-4H3;4-7H,8-13H2,1-3H3;4-5,7-8H,6,9-12H2,1-3H3;4-7H,8-12H2,1-3H3;4-5,7-8H,6,9-11H2,1-3H3;4-7H,8-11H2,1-3H3
• InChIKey: FOESIGAGFFDNJN-UHFFFAOYSA-N
• XLogP: 25.81
• TPSA: 75.31 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 2
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1813.78
LogP ≤ 5	25.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]?

The IUPAC name of 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane] (CID 158091826) is 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane].

What is the SMILES notation for 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]?

The canonical SMILES for 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane] is CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CC2(CCCO2)c2ccccc21.CC(C)(C)N1CC2(CCOC2)c2ccccc21.CC(C)(C)N1CCC2(CCCO2)c2ccccc21.CC(C)(C)N1CCC2(CCOC2)c2ccccc21.CC(C)(C)N1CCC2(CCOCC2)c2ccccc21.CCN1CCC2(CC1)CCN(C(C)(C)C)c1ccccc12.

What is the InChIKey of 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]?

The InChIKey is FOESIGAGFFDNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2.C19H30N2.C17H25NO.2C16H23NO.2C15H21NO/c1-19(2,3)15-22-13-11-21(12-14-22)16-23(20(4,5)6)18-10-8-7-9-17(18)21;1-5-20-13-10-19(11-14-20)12-15-21(18(2,3)4)17-9-7-6-8-16(17)19;1-16(2,3)18-11-8-17(9-12-19-13-10-17)14-6-4-5-7-15(14)18;1-15(2,3)17-11-10-16(9-6-12-18-16)13-7-4-5-8-14(13)17;1-15(2,3)17-10-8-16(9-11-18-12-16)13-6-4-5-7-14(13)17;1-14(2,3)16-11-15(9-6-10-17-15)12-7-4-5-8-13(12)16;1-14(2,3)16-10-15(8-9-17-11-15)12-6-4-5-7-13(12)16/h7-10H,11-16H2,1-6H3;6-9H,5,10-15H2,1-4H3;4-7H,8-13H2,1-3H3;4-5,7-8H,6,9-12H2,1-3H3;4-7H,8-12H2,1-3H3;4-5,7-8H,6,9-11H2,1-3H3;4-7H,8-11H2,1-3H3.

What are the key properties of 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]?

1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane] has a molecular weight of 1813.78 g/mol, XLogP of 25.81, 2 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane] is sourced from PubChem (CID 158091826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).