1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane

C113H224N12 — CID 159016162

About 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane

1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane (PubChem CID 159016162) has the molecular formula C113H224N12 and a molecular weight of 1751.12 g/mol. Its IUPAC name is 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

• Compound Name: 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane
• PubChem CID: 159016162
• Molecular Formula: C113H224N12
• Molecular Weight: 1751.12 g/mol
• Exact Mass: 1749.79
• IUPAC Name: 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane
• SMILES: 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)CN1CCC2CN(C(C)(C)C)CCC2C1.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2CCN(C(C)(C)C)CC2C1
• InChI: InChI=1S/C19H37N.2C17H34N2.C16H32N2.C15H30N2.C15H28N2.C14H29N/c1-17(2,3)14-15-12-16(13-15)20-10-8-19(7,9-11-20)18(4,5)6;1-16(2,3)13-18-9-7-15-12-19(17(4,5)6)10-8-14(15)11-18;1-16(2,3)13-18-9-7-14-8-10-19(17(4,5)6)12-15(14)11-18;1-15(2,3)17-9-7-13-8-10-18(16(4,5)6)12-14(13)11-17;1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;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/h15-16H,8-14H2,1-7H3;2*14-15H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3;7-12H2,1-6H3;9-13H2,1-6H3;12H,7-11H2,1-6H3
• InChIKey: JTCQMJDYIRHVII-UHFFFAOYSA-N
• XLogP: 24.75
• TPSA: 38.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1751.12
LogP ≤ 5	24.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane?

The IUPAC name of 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane (CID 159016162) is 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane.

What is the SMILES notation for 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane?

The canonical SMILES for 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane 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)CN1CCC2CN(C(C)(C)C)CCC2C1.CC(C)(C)N1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)N1CCC2CCN(C(C)(C)C)CC2C1.

What is the InChIKey of 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane?

The InChIKey is JTCQMJDYIRHVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N.2C17H34N2.C16H32N2.C15H30N2.C15H28N2.C14H29N/c1-17(2,3)14-15-12-16(13-15)20-10-8-19(7,9-11-20)18(4,5)6;1-16(2,3)13-18-9-7-15-12-19(17(4,5)6)10-8-14(15)11-18;1-16(2,3)13-18-9-7-14-8-10-19(17(4,5)6)12-15(14)11-18;1-15(2,3)17-9-7-13-8-10-18(16(4,5)6)12-14(13)11-17;1-13(2,3)16-9-7-15(8-10-16)11-17(12-15)14(4,5)6;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/h15-16H,8-14H2,1-7H3;2*14-15H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3;7-12H2,1-6H3;9-13H2,1-6H3;12H,7-11H2,1-6H3.

What are the key properties of 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane?

1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 1751.12 g/mol, XLogP of 24.75, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(4,4-dimethylpent-2-ynyl)piperazine;2-tert-butyl-6-(2,2-dimethylpropyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;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;4-tert-butyl-1-(2,2-dimethylpropyl)piperidine;2,7-ditert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine;2,7-ditert-butyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 159016162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).