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

C125H186N6O5 — CID 161328604

IUPAC1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
SMILESCC(C)(C)C1CCC2(CCCO2)c2ccccc21.CC(C)(C)C1CCC2(CCOC2)c2ccccc21.CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)CN1CCC2(CCC(C(C)(C)C)c3ccccc32)CC1.CC(C)(C)N1CC2(CCCO2)c2ccccc21.CC(C)(C)N1CC2(CCOC2)c2ccccc21.CC(C)(C)N1CCC2(CCOCC2)c2ccccc21
InChIInChI=1S/C23H37N.C21H34N2.C17H25NO.2C17H24O.2C15H21NO/c1-21(2,3)17-24-15-13-23(14-16-24)12-11-19(22(4,5)6)18-9-7-8-10-20(18)23;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(2,3)18-11-8-17(9-12-19-13-10-17)14-6-4-5-7-15(14)18;1-16(2,3)14-9-11-17(10-6-12-18-17)15-8-5-4-7-13(14)15;1-16(2,3)14-8-9-17(10-11-18-12-17)15-7-5-4-6-13(14)15;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/h7-10,19H,11-17H2,1-6H3;7-10H,11-16H2,1-6H3;4-7H,8-13H2,1-3H3;4-5,7-8,14H,6,9-12H2,1-3H3;4-7,14H,8-12H2,1-3H3;4-5,7-8H,6,9-11H2,1-3H3;4-7H,8-11H2,1-3H3
InChIKeyVLCNLVUFYXAAFQ-UHFFFAOYSA-N
MW1852.90 g/mol
LogP29.58
Rot. Bonds2

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

1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane] (PubChem CID 161328604) has the molecular formula C125H186N6O5 and a molecular weight of 1852.90 g/mol. Its IUPAC name is 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane].

Molecular Properties

Compound Name1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
PubChem CID161328604
Molecular FormulaC125H186N6O5
Molecular Weight1852.90 g/mol
Exact Mass1851.45
IUPAC Name1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
SMILESCC(C)(C)C1CCC2(CCCO2)c2ccccc21.CC(C)(C)C1CCC2(CCOC2)c2ccccc21.CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)CN1CCC2(CCC(C(C)(C)C)c3ccccc32)CC1.CC(C)(C)N1CC2(CCCO2)c2ccccc21.CC(C)(C)N1CC2(CCOC2)c2ccccc21.CC(C)(C)N1CCC2(CCOCC2)c2ccccc21
InChIInChI=1S/C23H37N.C21H34N2.C17H25NO.2C17H24O.2C15H21NO/c1-21(2,3)17-24-15-13-23(14-16-24)12-11-19(22(4,5)6)18-9-7-8-10-20(18)23;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(2,3)18-11-8-17(9-12-19-13-10-17)14-6-4-5-7-15(14)18;1-16(2,3)14-9-11-17(10-6-12-18-17)15-8-5-4-7-13(14)15;1-16(2,3)14-8-9-17(10-11-18-12-17)15-7-5-4-6-13(14)15;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/h7-10,19H,11-17H2,1-6H3;7-10H,11-16H2,1-6H3;4-7H,8-13H2,1-3H3;4-5,7-8,14H,6,9-12H2,1-3H3;4-7,14H,8-12H2,1-3H3;4-5,7-8H,6,9-11H2,1-3H3;4-7H,8-11H2,1-3H3
InChIKeyVLCNLVUFYXAAFQ-UHFFFAOYSA-N
XLogP29.58
TPSA65.59 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001852.90
LogP ≤ 529.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane] with MolForge

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Related Compounds

1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane]
CID 157057162
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
1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
CID 158993856
1-tert-butyl-3,4-dihydro-2H-quinolin-8-ol;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-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
CID 160013979
1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[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 161651610
1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-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 162151319

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];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[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane] (CID 161328604) is 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];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[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];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[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane] is CC(C)(C)C1CCC2(CCCO2)c2ccccc21.CC(C)(C)C1CCC2(CCOC2)c2ccccc21.CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)CN1CCC2(CCC(C(C)(C)C)c3ccccc32)CC1.CC(C)(C)N1CC2(CCCO2)c2ccccc21.CC(C)(C)N1CC2(CCOC2)c2ccccc21.CC(C)(C)N1CCC2(CCOCC2)c2ccccc21.
What is the InChIKey of 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]?
The InChIKey is VLCNLVUFYXAAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N.C21H34N2.C17H25NO.2C17H24O.2C15H21NO/c1-21(2,3)17-24-15-13-23(14-16-24)12-11-19(22(4,5)6)18-9-7-8-10-20(18)23;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(2,3)18-11-8-17(9-12-19-13-10-17)14-6-4-5-7-15(14)18;1-16(2,3)14-9-11-17(10-6-12-18-17)15-8-5-4-7-13(14)15;1-16(2,3)14-8-9-17(10-11-18-12-17)15-7-5-4-6-13(14)15;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/h7-10,19H,11-17H2,1-6H3;7-10H,11-16H2,1-6H3;4-7H,8-13H2,1-3H3;4-5,7-8,14H,6,9-12H2,1-3H3;4-7,14H,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[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]?
1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane] has a molecular weight of 1852.90 g/mol, XLogP of 29.58, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane] is sourced from PubChem (CID 161328604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).