3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one

C163H321N13O16 — CID 158049754

About 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one

3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one (PubChem CID 158049754) has the molecular formula C163H321N13O16 and a molecular weight of 2719.44 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one.

Molecular Properties

• Compound Name: 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one
• PubChem CID: 158049754
• Molecular Formula: C163H321N13O16
• Molecular Weight: 2719.44 g/mol
• Exact Mass: 2717.47
• IUPAC Name: 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one
• SMILES: CC(C)(C)CC1CCC(C(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCOCCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCOCCOCCOCCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCCOCCOCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)NCCOCCC(=O)N1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/C24H47NO4.C23H45NO4.C22H43N3O.C22H41NO.C20H39NO2.C19H37NO2.C17H35N3O2.C16H34N2/c1-22(2,3)10-8-15-27-17-19-29-20-18-28-16-9-21(26)25-13-11-24(7,12-14-25)23(4,5)6;1-22(2,3)11-7-14-26-16-18-28-19-17-27-15-10-21(25)24-12-8-20(9-13-24)23(4,5)6;1-20(2,3)22(7)10-13-24(14-11-22)19(26)9-8-12-23-15-17-25(18-16-23)21(4,5)6;1-20(2,3)16-17-8-10-18(11-9-17)19(24)23-14-12-22(7,13-15-23)21(4,5)6;1-18(2,3)10-8-15-23-16-9-17(22)21-13-11-20(7,12-14-21)19(4,5)6;1-18(2,3)11-7-14-22-15-10-17(21)20-12-8-16(9-13-20)19(4,5)6;1-16(2,3)18-8-14-22-13-7-15(21)19-9-11-20(12-10-19)17(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6/h8-20H2,1-7H3;20H,7-19H2,1-6H3;8-18H2,1-7H3;17-18H,8-16H2,1-7H3;8-16H2,1-7H3;16H,7-15H2,1-6H3;18H,7-14H2,1-6H3;7-14H2,1-6H3
• InChIKey: FJIKERFTZCDDOC-UHFFFAOYSA-N
• XLogP: 33.97
• TPSA: 253.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 52
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2719.44
LogP ≤ 5	33.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one?

The IUPAC name of 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one (CID 158049754) is 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one.

What is the SMILES notation for 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one?

The canonical SMILES for 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one is CC(C)(C)CC1CCC(C(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCOCCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCOCCOCCOCCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCCOCCOCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)NCCOCCC(=O)N1CCN(C(C)(C)C)CC1.

What is the InChIKey of 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one?

The InChIKey is FJIKERFTZCDDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO4.C23H45NO4.C22H43N3O.C22H41NO.C20H39NO2.C19H37NO2.C17H35N3O2.C16H34N2/c1-22(2,3)10-8-15-27-17-19-29-20-18-28-16-9-21(26)25-13-11-24(7,12-14-25)23(4,5)6;1-22(2,3)11-7-14-26-16-18-28-19-17-27-15-10-21(25)24-12-8-20(9-13-24)23(4,5)6;1-20(2,3)22(7)10-13-24(14-11-22)19(26)9-8-12-23-15-17-25(18-16-23)21(4,5)6;1-20(2,3)16-17-8-10-18(11-9-17)19(24)23-14-12-22(7,13-15-23)21(4,5)6;1-18(2,3)10-8-15-23-16-9-17(22)21-13-11-20(7,12-14-21)19(4,5)6;1-18(2,3)11-7-14-22-15-10-17(21)20-12-8-16(9-13-20)19(4,5)6;1-16(2,3)18-8-14-22-13-7-15(21)19-9-11-20(12-10-19)17(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6/h8-20H2,1-7H3;20H,7-19H2,1-6H3;8-18H2,1-7H3;17-18H,8-16H2,1-7H3;8-16H2,1-7H3;16H,7-15H2,1-6H3;18H,7-14H2,1-6H3;7-14H2,1-6H3.

What are the key properties of 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one?

3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one has a molecular weight of 2719.44 g/mol, XLogP of 33.97, 52 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperidin-1-yl)-3-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]propan-1-one;1-(4-tert-butylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one is sourced from PubChem (CID 158049754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).