4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone

C96H194N10O2 — CID 161355338

About 4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone

4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone (PubChem CID 161355338) has the molecular formula C96H194N10O2 and a molecular weight of 1520.68 g/mol. Its IUPAC name is 4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone
• PubChem CID: 161355338
• Molecular Formula: C96H194N10O2
• Molecular Weight: 1520.68 g/mol
• Exact Mass: 1519.54
• IUPAC Name: 4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone
• SMILES: 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)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1
• InChI: InChI=1S/C23H45N3O.C22H43N3O.C18H37N.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;1-20(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;1-16(2,3)10-8-9-13-19-14-11-18(7,12-15-19)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;8-18H2,1-7H3;8-15H2,1-7H3;8-14H2,1-7H3;7-14H2,1-6H3
• InChIKey: VOLSOAQJHSWUBE-UHFFFAOYSA-N
• XLogP: 21.89
• TPSA: 66.54 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1520.68
LogP ≤ 5	21.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone?

The IUPAC name of 4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone (CID 161355338) is 4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone?

The canonical SMILES for 4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone is 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)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.

What is the InChIKey of 4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone?

The InChIKey is VOLSOAQJHSWUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3O.C22H43N3O.C18H37N.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;1-20(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;1-16(2,3)10-8-9-13-19-14-11-18(7,12-15-19)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;8-18H2,1-7H3;8-15H2,1-7H3;8-14H2,1-7H3;7-14H2,1-6H3.

What are the key properties of 4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone?

4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone has a molecular weight of 1520.68 g/mol, XLogP of 21.89, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-1-(5,5-dimethylhexyl)-4-methylpiperidine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;4-tert-butyl-1-(4,4-dimethylpentyl)-4-methylpiperidine;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)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 161355338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).