5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane

C135H267N15 — CID 161150853

IUPAC5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)C#CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CC1CC(N2CCC(C)(C(C)(C)C)CC2)C1.CC(C)(C)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CN1CCC2CCN(C(C)(C)C)CC2C1.CC(C)(C)CN1CCCC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC(CN2CC3CN(C(C)(C)C)CC3C2)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCC2CCN(C(C)(C)C)CC2C1
InChIInChI=1S/C20H39N3.C19H37N.C18H36N2.C17H34N2.2C16H32N2.C15H28N2.C14H29N/c1-19(2,3)22-9-7-16(8-10-22)11-21-12-17-14-23(20(4,5)6)15-18(17)13-21;1-17(2,3)14-15-12-16(13-15)20-10-8-19(7,9-11-20)18(4,5)6;1-16(2,3)14-19-11-7-8-18(15-19)9-12-20(13-10-18)17(4,5)6;1-16(2,3)13-18-9-7-14-8-10-19(17(4,5)6)12-15(14)11-18;1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-15(2,3)17-9-7-13-8-10-18(16(4,5)6)12-14(13)11-17;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-13(2,3)11-15-9-7-12(8-10-15)14(4,5)6/h16-18H,7-15H2,1-6H3;15-16H,8-14H2,1-7H3;7-15H2,1-6H3;14-15H,7-13H2,1-6H3;7-13H2,1-6H3;13-14H,7-12H2,1-6H3;9-13H2,1-6H3;12H,7-11H2,1-6H3
InChIKeyUOQQXBMRCYQWQS-UHFFFAOYSA-N
MW2100.73 g/mol
LogP28.83
Rot. Bonds8

About 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane

5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane (PubChem CID 161150853) has the molecular formula C135H267N15 and a molecular weight of 2100.73 g/mol. Its IUPAC name is 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane
PubChem CID161150853
Molecular FormulaC135H267N15
Molecular Weight2100.73 g/mol
Exact Mass2099.14
IUPAC Name5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane
SMILESCC(C)(C)C#CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CC1CC(N2CCC(C)(C(C)(C)C)CC2)C1.CC(C)(C)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CN1CCC2CCN(C(C)(C)C)CC2C1.CC(C)(C)CN1CCCC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC(CN2CC3CN(C(C)(C)C)CC3C2)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCC2CCN(C(C)(C)C)CC2C1
InChIInChI=1S/C20H39N3.C19H37N.C18H36N2.C17H34N2.2C16H32N2.C15H28N2.C14H29N/c1-19(2,3)22-9-7-16(8-10-22)11-21-12-17-14-23(20(4,5)6)15-18(17)13-21;1-17(2,3)14-15-12-16(13-15)20-10-8-19(7,9-11-20)18(4,5)6;1-16(2,3)14-19-11-7-8-18(15-19)9-12-20(13-10-18)17(4,5)6;1-16(2,3)13-18-9-7-14-8-10-19(17(4,5)6)12-15(14)11-18;1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-15(2,3)17-9-7-13-8-10-18(16(4,5)6)12-14(13)11-17;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-13(2,3)11-15-9-7-12(8-10-15)14(4,5)6/h16-18H,7-15H2,1-6H3;15-16H,8-14H2,1-7H3;7-15H2,1-6H3;14-15H,7-13H2,1-6H3;7-13H2,1-6H3;13-14H,7-12H2,1-6H3;9-13H2,1-6H3;12H,7-11H2,1-6H3
InChIKeyUOQQXBMRCYQWQS-UHFFFAOYSA-N
XLogP28.83
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002100.73
LogP ≤ 528.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane (CID 161150853) is 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane is CC(C)(C)C#CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CC1CC(N2CCC(C)(C(C)(C)C)CC2)C1.CC(C)(C)CN1CCC(C(C)(C)C)CC1.CC(C)(C)CN1CCC2CCN(C(C)(C)C)CC2C1.CC(C)(C)CN1CCCC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCC(CN2CC3CN(C(C)(C)C)CC3C2)CC1.CC(C)(C)N1CCC2(CC1)CCN(C(C)(C)C)C2.CC(C)(C)N1CCC2CCN(C(C)(C)C)CC2C1.
What is the InChIKey of 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane?
The InChIKey is UOQQXBMRCYQWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3.C19H37N.C18H36N2.C17H34N2.2C16H32N2.C15H28N2.C14H29N/c1-19(2,3)22-9-7-16(8-10-22)11-21-12-17-14-23(20(4,5)6)15-18(17)13-21;1-17(2,3)14-15-12-16(13-15)20-10-8-19(7,9-11-20)18(4,5)6;1-16(2,3)14-19-11-7-8-18(15-19)9-12-20(13-10-18)17(4,5)6;1-16(2,3)13-18-9-7-14-8-10-19(17(4,5)6)12-15(14)11-18;1-14(2,3)17-10-7-16(8-11-17)9-12-18(13-16)15(4,5)6;1-15(2,3)17-9-7-13-8-10-18(16(4,5)6)12-14(13)11-17;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-13(2,3)11-15-9-7-12(8-10-15)14(4,5)6/h16-18H,7-15H2,1-6H3;15-16H,8-14H2,1-7H3;7-15H2,1-6H3;14-15H,7-13H2,1-6H3;7-13H2,1-6H3;13-14H,7-12H2,1-6H3;9-13H2,1-6H3;12H,7-11H2,1-6H3.
What are the key properties of 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane?
5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane has a molecular weight of 2100.73 g/mol, XLogP of 28.83, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-7-(2,2-dimethylpropyl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;4-tert-butyl-1-[3-(2,2-dimethylpropyl)cyclobutyl]-4-methylpiperidine;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 161150853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).