1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane

C136H254N16O9 — CID 157277564

About 1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane

1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane (PubChem CID 157277564) has the molecular formula C136H254N16O9 and a molecular weight of 2257.63 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane.

Molecular Properties

• Compound Name: 1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane
• PubChem CID: 157277564
• Molecular Formula: C136H254N16O9
• Molecular Weight: 2257.63 g/mol
• Exact Mass: 2255.99
• IUPAC Name: 1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane
• SMILES: C.CC(C)(C)CCCCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)CCOCCN1CCN(C(C)(C)C)CC1.CC(C)(C)COc1ccnc(N2CCN(C(C)(C)C)CC2)c1.CC(C)(C)Cc1cccc(C(=O)N2CCN(C(C)(C)C)CC2)c1.CC(C)(C)NC1CC(OCCOC(C)(C)C)C1.CC(C)(C)NC1CC(Oc2ccc(OC(C)(C)C)cc2)C1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)c1ccnc(N2CCN(C(C)(C)C)CC2)c1
• InChI: InChI=1S/C20H32N2O.C18H31N3O.C18H29NO2.C17H29N3.C17H34N2O.C16H34N2O.C15H32N2O.C14H29NO2.CH4/c1-19(2,3)15-16-8-7-9-17(14-16)18(23)21-10-12-22(13-11-21)20(4,5)6;1-17(2,3)14-22-15-7-8-19-16(13-15)20-9-11-21(12-10-20)18(4,5)6;1-17(2,3)19-13-11-16(12-13)20-14-7-9-15(10-8-14)21-18(4,5)6;1-16(2,3)14-7-8-18-15(13-14)19-9-11-20(12-10-19)17(4,5)6;1-16(2,3)10-8-7-9-15(20)18-11-13-19(14-12-18)17(4,5)6;1-15(2,3)7-13-19-14-12-17-8-10-18(11-9-17)16(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;1-13(2,3)15-11-9-12(10-11)16-7-8-17-14(4,5)6;/h7-9,14H,10-13,15H2,1-6H3;7-8,13H,9-12,14H2,1-6H3;7-10,13,16,19H,11-12H2,1-6H3;7-8,13H,9-12H2,1-6H3;7-14H2,1-6H3;7-14H2,1-6H3;13,16H,7-12H2,1-6H3;11-12,15H,7-10H2,1-6H3;1H4
• InChIKey: AZHAOAVAGCZFEV-UHFFFAOYSA-N
• XLogP: 27.14
• TPSA: 196.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2257.63
LogP ≤ 5	27.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane?

The IUPAC name of 1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane (CID 157277564) is 1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane.

What is the SMILES notation for 1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane?

The canonical SMILES for 1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane is C.CC(C)(C)CCCCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)CCOCCN1CCN(C(C)(C)C)CC1.CC(C)(C)COc1ccnc(N2CCN(C(C)(C)C)CC2)c1.CC(C)(C)Cc1cccc(C(=O)N2CCN(C(C)(C)C)CC2)c1.CC(C)(C)NC1CC(OCCOC(C)(C)C)C1.CC(C)(C)NC1CC(Oc2ccc(OC(C)(C)C)cc2)C1.CC(C)(C)NC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)c1ccnc(N2CCN(C(C)(C)C)CC2)c1.

What is the InChIKey of 1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane?

The InChIKey is AZHAOAVAGCZFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O.C18H31N3O.C18H29NO2.C17H29N3.C17H34N2O.C16H34N2O.C15H32N2O.C14H29NO2.CH4/c1-19(2,3)15-16-8-7-9-17(14-16)18(23)21-10-12-22(13-11-21)20(4,5)6;1-17(2,3)14-22-15-7-8-19-16(13-15)20-9-11-21(12-10-20)18(4,5)6;1-17(2,3)19-13-11-16(12-13)20-14-7-9-15(10-8-14)21-18(4,5)6;1-16(2,3)14-7-8-18-15(13-14)19-9-11-20(12-10-19)17(4,5)6;1-16(2,3)10-8-7-9-15(20)18-11-13-19(14-12-18)17(4,5)6;1-15(2,3)7-13-19-14-12-17-8-10-18(11-9-17)16(4,5)6;1-14(2,3)16-13-7-9-17(10-8-13)11-12-18-15(4,5)6;1-13(2,3)15-11-9-12(10-11)16-7-8-17-14(4,5)6;/h7-9,14H,10-13,15H2,1-6H3;7-8,13H,9-12,14H2,1-6H3;7-10,13,16,19H,11-12H2,1-6H3;7-8,13H,9-12H2,1-6H3;7-14H2,1-6H3;7-14H2,1-6H3;13,16H,7-12H2,1-6H3;11-12,15H,7-10H2,1-6H3;1H4.

What are the key properties of 1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane?

1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane has a molecular weight of 2257.63 g/mol, XLogP of 27.14, 28 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(4-tert-butyl-2-pyridinyl)piperazine;1-tert-butyl-4-[2-(3,3-dimethylbutoxy)ethyl]piperazine;1-tert-butyl-4-[4-(2,2-dimethylpropoxy)-2-pyridinyl]piperazine;N-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine;N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-amine;N-tert-butyl-3-[4-[(2-methylpropan-2-yl)oxy]phenoxy]cyclobutan-1-amine;1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one;(4-tert-butylpiperazin-1-yl)-[3-(2,2-dimethylpropyl)phenyl]methanone;methane is sourced from PubChem (CID 157277564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).