1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline

C150H299N17O4 — CID 161282196

About 1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline

1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline (PubChem CID 161282196) has the molecular formula C150H299N17O4 and a molecular weight of 2405.16 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline.

Molecular Properties

• Compound Name: 1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
• PubChem CID: 161282196
• Molecular Formula: C150H299N17O4
• Molecular Weight: 2405.16 g/mol
• Exact Mass: 2403.37
• IUPAC Name: 1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
• SMILES: CC(C)(C)CCCC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCOc1ccc(NC(C)(C)C)cc1.CC(C)(C)CCCN1CCC(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)Nc1ccc(OCCCOC(C)(C)C)cc1.CC(C)(C)OCCC1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/2C18H37N3.C18H31NO.C17H36N4.C17H29NO2.2C16H33N.C15H32N2.C15H31NO/c1-17(2,3)20-9-7-16(8-10-20)15-19-11-13-21(14-12-19)18(4,5)6;1-17(2,3)20-13-11-19(12-14-20)9-7-16-8-10-21(15-16)18(4,5)6;1-17(2,3)13-7-8-14-20-16-11-9-15(10-12-16)19-18(4,5)6;1-16(2,3)20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)17(4,5)6;1-16(2,3)18-14-8-10-15(11-9-14)19-12-7-13-20-17(4,5)6;1-15(2,3)10-7-11-17-12-8-14(9-13-17)16(4,5)6;1-15(2,3)11-7-8-14-9-12-17(13-10-14)16(4,5)6;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-14(2,3)16-10-7-13(8-11-16)9-12-17-15(4,5)6/h2*16H,7-15H2,1-6H3;9-12,19H,7-8,13-14H2,1-6H3;7-15H2,1-6H3;8-11,18H,7,12-13H2,1-6H3;2*14H,7-13H2,1-6H3;7-13H2,1-6H3;13H,7-12H2,1-6H3
• InChIKey: VFFWLEOPHYLNSH-UHFFFAOYSA-N
• XLogP: 33.79
• TPSA: 109.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 31
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2405.16
LogP ≤ 5	33.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline?

The IUPAC name of 1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline (CID 161282196) is 1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline.

What is the SMILES notation for 1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline?

The canonical SMILES for 1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline is CC(C)(C)CCCC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCOc1ccc(NC(C)(C)C)cc1.CC(C)(C)CCCN1CCC(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)Nc1ccc(OCCCOC(C)(C)C)cc1.CC(C)(C)OCCC1CCN(C(C)(C)C)CC1.

What is the InChIKey of 1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline?

The InChIKey is VFFWLEOPHYLNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H37N3.C18H31NO.C17H36N4.C17H29NO2.2C16H33N.C15H32N2.C15H31NO/c1-17(2,3)20-9-7-16(8-10-20)15-19-11-13-21(14-12-19)18(4,5)6;1-17(2,3)20-13-11-19(12-14-20)9-7-16-8-10-21(15-16)18(4,5)6;1-17(2,3)13-7-8-14-20-16-11-9-15(10-12-16)19-18(4,5)6;1-16(2,3)20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)17(4,5)6;1-16(2,3)18-14-8-10-15(11-9-14)19-12-7-13-20-17(4,5)6;1-15(2,3)10-7-11-17-12-8-14(9-13-17)16(4,5)6;1-15(2,3)11-7-8-14-9-12-17(13-10-14)16(4,5)6;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-14(2,3)16-10-7-13(8-11-16)9-12-17-15(4,5)6/h2*16H,7-15H2,1-6H3;9-12,19H,7-8,13-14H2,1-6H3;7-15H2,1-6H3;8-11,18H,7,12-13H2,1-6H3;2*14H,7-13H2,1-6H3;7-13H2,1-6H3;13H,7-12H2,1-6H3.

What are the key properties of 1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline?

1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline has a molecular weight of 2405.16 g/mol, XLogP of 33.79, 31 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline is sourced from PubChem (CID 161282196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).