3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one

C128H260N12O5 — CID 167668791

About 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one

3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one (PubChem CID 167668791) has the molecular formula C128H260N12O5 and a molecular weight of 2047.57 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one.

Molecular Properties

• Compound Name: 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one
• PubChem CID: 167668791
• Molecular Formula: C128H260N12O5
• Molecular Weight: 2047.57 g/mol
• Exact Mass: 2046.05
• IUPAC Name: 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one
• SMILES: CC(C)(C)CCCCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)CCCOCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)NCCOCCC(=O)N1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/C23H45N3O.C19H39NO.C18H35NO.C18H37N.C17H35N3O2.C17H35N.C16H34N2/c1-21(2,3)9-8-12-24-15-17-25(18-16-24)19-20(27)26-13-10-23(7,11-14-26)22(4,5)6;1-17(2,3)9-8-15-21-16-14-20-12-10-19(7,11-13-20)18(4,5)6;1-17(2,3)12-8-7-9-16(20)19-13-10-15(11-14-19)18(4,5)6;1-16(2,3)10-8-9-13-19-14-11-18(7,12-15-19)17(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)9-8-12-18-13-10-17(7,11-14-18)16(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6/h8-19H2,1-7H3;8-16H2,1-7H3;15H,7-14H2,1-6H3;8-15H2,1-7H3;18H,7-14H2,1-6H3;8-14H2,1-7H3;7-14H2,1-6H3
• InChIKey: TUHHOWGSBRHNIF-UHFFFAOYSA-N
• XLogP: 29.61
• TPSA: 117.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 32
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2047.57
LogP ≤ 5	29.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one?

The IUPAC name of 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one (CID 167668791) is 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one.

What is the SMILES notation for 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one?

The canonical SMILES for 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one is CC(C)(C)CCCCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)CCCOCCN1CCC(C)(C(C)(C)C)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;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one?

The InChIKey is TUHHOWGSBRHNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3O.C19H39NO.C18H35NO.C18H37N.C17H35N3O2.C17H35N.C16H34N2/c1-21(2,3)9-8-12-24-15-17-25(18-16-24)19-20(27)26-13-10-23(7,11-14-26)22(4,5)6;1-17(2,3)9-8-15-21-16-14-20-12-10-19(7,11-13-20)18(4,5)6;1-17(2,3)12-8-7-9-16(20)19-13-10-15(11-14-19)18(4,5)6;1-16(2,3)10-8-9-13-19-14-11-18(7,12-15-19)17(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)9-8-12-18-13-10-17(7,11-14-18)16(4,5)6;1-15(2,3)9-7-8-10-17-11-13-18(14-12-17)16(4,5)6/h8-19H2,1-7H3;8-16H2,1-7H3;15H,7-14H2,1-6H3;8-15H2,1-7H3;18H,7-14H2,1-6H3;8-14H2,1-7H3;7-14H2,1-6H3.

What are the key properties of 3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one?

3-[2-(tert-butylamino)ethoxy]-1-(4-tert-butylpiperazin-1-yl)propan-1-one;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one has a molecular weight of 2047.57 g/mol, XLogP of 29.61, 32 rotatable bonds, 1 hydrogen bond donors, and 14 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;4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-[2-(4,4-dimethylpentoxy)ethyl]-4-methylpiperidine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one is sourced from PubChem (CID 167668791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).