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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane

C145H288N16 — CID 162166145

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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane (PubChem CID 162166145) has the molecular formula C145H288N16 and a molecular weight of 2256.01 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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane
• PubChem CID: 162166145
• Molecular Formula: C145H288N16
• Molecular Weight: 2256.01 g/mol
• Exact Mass: 2254.30
• 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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-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)CN1CC(N2CCC(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.CC(C)(C)N1CCCC2(C1)CN(C(C)(C)C)C2
• InChI: InChI=1S/C19H37N.3C17H34N2.C16H32N2.2C15H30N2.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)13-18-11-15(12-18)19-9-7-14(8-10-19)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;1-15(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;1-13(2,3)16-9-7-8-15(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;3*14-15H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3;2*7-12H2,1-6H3;9-13H2,1-6H3;12H,7-11H2,1-6H3
• InChIKey: ZNDQZCYVDWGPFQ-UHFFFAOYSA-N
• XLogP: 31.21
• TPSA: 51.84 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2256.01
LogP ≤ 5	31.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane (CID 162166145) 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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-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)CN1CC(N2CCC(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.CC(C)(C)N1CCCC2(C1)CN(C(C)(C)C)C2.

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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane?

The InChIKey is ZNDQZCYVDWGPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N.3C17H34N2.C16H32N2.2C15H30N2.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)13-18-11-15(12-18)19-9-7-14(8-10-19)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;1-15(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;1-13(2,3)16-9-7-8-15(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;3*14-15H,7-13H2,1-6H3;13-14H,7-12H2,1-6H3;2*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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane has a molecular weight of 2256.01 g/mol, XLogP of 31.21, 8 rotatable bonds, 0 hydrogen bond donors, and 16 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-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;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;2,8-ditert-butyl-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 162166145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).