1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one

C172H339N17O12 — CID 167554601

About 1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one

1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one (PubChem CID 167554601) has the molecular formula C172H339N17O12 and a molecular weight of 2837.71 g/mol. Its IUPAC name is 1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one.

Molecular Properties

• Compound Name: 1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one
• PubChem CID: 167554601
• Molecular Formula: C172H339N17O12
• Molecular Weight: 2837.71 g/mol
• Exact Mass: 2835.64
• IUPAC Name: 1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one
• SMILES: CC(C)(C)CC(=O)CCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCCCCCC(=O)C(C)(C)C.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCN(CC(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCOCCCC(=O)C(C)(C)C.CC(C)(C)N1CCN(CCCC(=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/3C22H43N3O.C21H39NO3.C20H40N4O.C20H39NO2.C16H32O.C15H32N2.C14H28O2/c1-20(2,3)8-11-23-14-16-24(17-15-23)18-19(26)25-12-9-22(7,10-13-25)21(4,5)6;2*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;1-19(2,3)16-17(23)8-14-25-15-9-18(24)22-12-10-21(7,11-13-22)20(4,5)6;1-19(2,3)7-8-21-9-11-22(12-10-21)17-18(25)23-13-15-24(16-14-23)20(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;1-15(2,3)13-11-9-7-8-10-12-14(17)16(4,5)6;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-13(2,3)9-11-16-10-7-8-12(15)14(4,5)6/h3*8-18H2,1-7H3;8-16H2,1-7H3;7-17H2,1-6H3;8-16H2,1-7H3;2*7-13H2,1-6H3;7-11H2,1-6H3
• InChIKey: CVQLXUPGBUVVOP-UHFFFAOYSA-N
• XLogP: 35.21
• TPSA: 236.40 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 45
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2837.71
LogP ≤ 5	35.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

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-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one?

The IUPAC name of 1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one (CID 167554601) is 1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one.

What is the SMILES notation for 1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one?

The canonical SMILES for 1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one is CC(C)(C)CC(=O)CCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCCCCCC(=O)C(C)(C)C.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)CCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(CC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCN(CC(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCOCCCC(=O)C(C)(C)C.CC(C)(C)N1CCN(CCCC(=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 1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one?

The InChIKey is CVQLXUPGBUVVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H43N3O.C21H39NO3.C20H40N4O.C20H39NO2.C16H32O.C15H32N2.C14H28O2/c1-20(2,3)8-11-23-14-16-24(17-15-23)18-19(26)25-12-9-22(7,10-13-25)21(4,5)6;2*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;1-19(2,3)16-17(23)8-14-25-15-9-18(24)22-12-10-21(7,11-13-22)20(4,5)6;1-19(2,3)7-8-21-9-11-22(12-10-21)17-18(25)23-13-15-24(16-14-23)20(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;1-15(2,3)13-11-9-7-8-10-12-14(17)16(4,5)6;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-13(2,3)9-11-16-10-7-8-12(15)14(4,5)6/h3*8-18H2,1-7H3;8-16H2,1-7H3;7-17H2,1-6H3;8-16H2,1-7H3;2*7-13H2,1-6H3;7-11H2,1-6H3.

What are the key properties of 1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one?

1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one has a molecular weight of 2837.71 g/mol, XLogP of 35.21, 45 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;bis(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-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butyl-4-methylpiperidin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-[3-(4-tert-butyl-4-methylpiperidin-1-yl)-3-oxopropoxy]-5,5-dimethylhexan-3-one;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;6-(3,3-dimethylbutoxy)-2,2-dimethylhexan-3-one;2,2,11,11-tetramethyldodecan-3-one is sourced from PubChem (CID 167554601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).