1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine

C101H180N24O3S — CID 159532230

About 1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine

1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine (PubChem CID 159532230) has the molecular formula C101H180N24O3S and a molecular weight of 1810.78 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine.

Molecular Properties

• Compound Name: 1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine
• PubChem CID: 159532230
• Molecular Formula: C101H180N24O3S
• Molecular Weight: 1810.78 g/mol
• Exact Mass: 1809.44
• IUPAC Name: 1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine
• SMILES: CC(C)(C)N1CCN(CC(N)=O)CC1.CC(C)(C)N1CCN(CCOCCO)CC1.CC(C)(C)N1CCN(CCc2ccncc2)CC1.CC(C)(C)N1CCN(CCn2ccnc2)CC1.CC(C)(C)N1CCN(Cc2cccnc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2nccs2)CC1
• InChI: InChI=1S/C15H25N3.C14H23N3.C13H24N4.2C13H21N3.C12H26N2O2.C11H19N3S.C10H21N3O/c1-15(2,3)18-12-10-17(11-13-18)9-6-14-4-7-16-8-5-14;1-14(2,3)17-9-7-16(8-10-17)12-13-5-4-6-15-11-13;1-13(2,3)17-10-8-15(9-11-17)6-7-16-5-4-14-12-16;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)14-6-4-13(5-7-14)8-10-16-11-9-15;1-11(2,3)14-7-5-13(6-8-14)10-12-4-9-15-10;1-10(2,3)13-6-4-12(5-7-13)8-9(11)14/h4-5,7-8H,6,9-13H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;4-5,12H,6-11H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;15H,4-11H2,1-3H3;4,9H,5-8H2,1-3H3;4-8H2,1-3H3,(H2,11,14)
• InChIKey: MDDKDECPTNNNMZ-UHFFFAOYSA-N
• XLogP: 11.70
• TPSA: 206.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1810.78
LogP ≤ 5	11.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

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-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine?

The IUPAC name of 1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine (CID 159532230) is 1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine.

What is the SMILES notation for 1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine?

The canonical SMILES for 1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine is CC(C)(C)N1CCN(CC(N)=O)CC1.CC(C)(C)N1CCN(CCOCCO)CC1.CC(C)(C)N1CCN(CCc2ccncc2)CC1.CC(C)(C)N1CCN(CCn2ccnc2)CC1.CC(C)(C)N1CCN(Cc2cccnc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2nccs2)CC1.

What is the InChIKey of 1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine?

The InChIKey is MDDKDECPTNNNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3.C14H23N3.C13H24N4.2C13H21N3.C12H26N2O2.C11H19N3S.C10H21N3O/c1-15(2,3)18-12-10-17(11-13-18)9-6-14-4-7-16-8-5-14;1-14(2,3)17-9-7-16(8-10-17)12-13-5-4-6-15-11-13;1-13(2,3)17-10-8-15(9-11-17)6-7-16-5-4-14-12-16;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)14-6-4-13(5-7-14)8-10-16-11-9-15;1-11(2,3)14-7-5-13(6-8-14)10-12-4-9-15-10;1-10(2,3)13-6-4-12(5-7-13)8-9(11)14/h4-5,7-8H,6,9-13H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;4-5,12H,6-11H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;15H,4-11H2,1-3H3;4,9H,5-8H2,1-3H3;4-8H2,1-3H3,(H2,11,14).

What are the key properties of 1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine?

1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine has a molecular weight of 1810.78 g/mol, XLogP of 11.70, 18 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethanol;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(2-pyridin-4-ylethyl)piperazine;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine is sourced from PubChem (CID 159532230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).