1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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

C127H246N6O14 — CID 160859260

IUPAC1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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
SMILESCC(C)(C)CC1CCC(C(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)CCCCC(=O)N1CCC(C)(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
InChIInChI=1S/C24H47NO4.C23H45NO4.C22H41NO.C20H39NO2.C19H37NO2.C19H37NO/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)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;1-17(2,3)11-9-8-10-16(21)20-14-12-19(7,13-15-20)18(4,5)6/h8-20H2,1-7H3;20H,7-19H2,1-6H3;17-18H,8-16H2,1-7H3;8-16H2,1-7H3;16H,7-15H2,1-6H3;8-15H2,1-7H3
InChIKeySKGOMCHVCLVTQN-UHFFFAOYSA-N
MW2081.39 g/mol
LogP30.03
Rot. Bonds42

About 1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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

1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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 160859260) has the molecular formula C127H246N6O14 and a molecular weight of 2081.39 g/mol. Its IUPAC name is 1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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 Name1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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 CID160859260
Molecular FormulaC127H246N6O14
Molecular Weight2081.39 g/mol
Exact Mass2079.87
IUPAC Name1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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
SMILESCC(C)(C)CC1CCC(C(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)CCCCC(=O)N1CCC(C)(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
InChIInChI=1S/C24H47NO4.C23H45NO4.C22H41NO.C20H39NO2.C19H37NO2.C19H37NO/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)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;1-17(2,3)11-9-8-10-16(21)20-14-12-19(7,13-15-20)18(4,5)6/h8-20H2,1-7H3;20H,7-19H2,1-6H3;17-18H,8-16H2,1-7H3;8-16H2,1-7H3;16H,7-15H2,1-6H3;8-15H2,1-7H3
InChIKeySKGOMCHVCLVTQN-UHFFFAOYSA-N
XLogP30.03
TPSA195.70 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds42
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002081.39
LogP ≤ 530.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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 1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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 160859260) is 1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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 1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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 1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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)CCCCC(=O)N1CCC(C)(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.
What is the InChIKey of 1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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 SKGOMCHVCLVTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO4.C23H45NO4.C22H41NO.C20H39NO2.C19H37NO2.C19H37NO/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)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;1-17(2,3)11-9-8-10-16(21)20-14-12-19(7,13-15-20)18(4,5)6/h8-20H2,1-7H3;20H,7-19H2,1-6H3;17-18H,8-16H2,1-7H3;8-16H2,1-7H3;16H,7-15H2,1-6H3;8-15H2,1-7H3.
What are the key properties of 1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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?
1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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 2081.39 g/mol, XLogP of 30.03, 42 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-4-methylpiperidin-1-yl)-6,6-dimethylheptan-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 160859260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).