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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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

C295H585N23O22 — CID 160810544

IUPAC3-[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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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)CC1.CC(C)(C)CCCCC(=O)N1CCC(C)(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)CCCOCCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCOCCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)CCCOCCN1CCC(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.CC(C)(C)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)NCCOCCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C24H47NO4.C23H45N3O.C23H45NO4.C22H43N3O.C22H41NO.C20H39NO2.C19H37NO2.C19H39NO.C19H37NO.C18H36N2O2.C18H35NO.C18H37N.C17H35N3O2.C17H35N.C16H34N2/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;1-21(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;1-22(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)22(7)10-13-24(14-11-22)19(26)9-8-12-23-15-17-25(18-16-23)21(4,5)6;1-20(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)9-8-15-21-16-14-20-12-10-19(7,11-13-20)18(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;1-17(2,3)9-7-14-22-15-8-16(21)19-10-12-20(13-11-19)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/h8-20H2,1-7H3;8-19H2,1-7H3;20H,7-19H2,1-6H3;8-18H2,1-7H3;17-18H,8-16H2,1-7H3;8-16H2,1-7H3;16H,7-15H2,1-6H3;8-16H2,1-7H3;8-15H2,1-7H3;7-15H2,1-6H3;15H,7-14H2,1-6H3;8-15H2,1-7H3;18H,7-14H2,1-6H3;8-14H2,1-7H3;7-14H2,1-6H3
InChIKeySEGLLFMYRBQTPE-UHFFFAOYSA-N
MW4807.06 g/mol
LogP66.67
Rot. Bonds84

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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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

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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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 160810544) has the molecular formula C295H585N23O22 and a molecular weight of 4807.06 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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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 Name3-[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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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 CID160810544
Molecular FormulaC295H585N23O22
Molecular Weight4807.06 g/mol
Exact Mass4803.54
IUPAC Name3-[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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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)CC1.CC(C)(C)CCCCC(=O)N1CCC(C)(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)CCCOCCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCOCCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)CCCOCCN1CCC(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.CC(C)(C)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)CC1.CC(C)(C)NCCOCCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C24H47NO4.C23H45N3O.C23H45NO4.C22H43N3O.C22H41NO.C20H39NO2.C19H37NO2.C19H39NO.C19H37NO.C18H36N2O2.C18H35NO.C18H37N.C17H35N3O2.C17H35N.C16H34N2/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;1-21(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;1-22(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)22(7)10-13-24(14-11-22)19(26)9-8-12-23-15-17-25(18-16-23)21(4,5)6;1-20(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)9-8-15-21-16-14-20-12-10-19(7,11-13-20)18(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;1-17(2,3)9-7-14-22-15-8-16(21)19-10-12-20(13-11-19)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/h8-20H2,1-7H3;8-19H2,1-7H3;20H,7-19H2,1-6H3;8-18H2,1-7H3;17-18H,8-16H2,1-7H3;8-16H2,1-7H3;16H,7-15H2,1-6H3;8-16H2,1-7H3;8-15H2,1-7H3;7-15H2,1-6H3;15H,7-14H2,1-6H3;8-15H2,1-7H3;18H,7-14H2,1-6H3;8-14H2,1-7H3;7-14H2,1-6H3
InChIKeySEGLLFMYRBQTPE-UHFFFAOYSA-N
XLogP66.67
TPSA372.61 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds84
Heavy Atoms340
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004807.06
LogP ≤ 566.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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 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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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 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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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 160810544) 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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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 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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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 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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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)CC1.CC(C)(C)CCCCC(=O)N1CCC(C)(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)CCCOCCC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)CCCOCCC(=O)N1CCC(C)(C(C)(C)C)CC1.CC(C)(C)CCCOCCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)CCCOCCN1CCC(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.CC(C)(C)N1CCN(CCCC(=O)N2CCC(C)(C(C)(C)C)CC2)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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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 SEGLLFMYRBQTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO4.C23H45N3O.C23H45NO4.C22H43N3O.C22H41NO.C20H39NO2.C19H37NO2.C19H39NO.C19H37NO.C18H36N2O2.C18H35NO.C18H37N.C17H35N3O2.C17H35N.C16H34N2/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;1-21(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;1-22(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)22(7)10-13-24(14-11-22)19(26)9-8-12-23-15-17-25(18-16-23)21(4,5)6;1-20(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)9-8-15-21-16-14-20-12-10-19(7,11-13-20)18(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;1-17(2,3)9-7-14-22-15-8-16(21)19-10-12-20(13-11-19)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/h8-20H2,1-7H3;8-19H2,1-7H3;20H,7-19H2,1-6H3;8-18H2,1-7H3;17-18H,8-16H2,1-7H3;8-16H2,1-7H3;16H,7-15H2,1-6H3;8-16H2,1-7H3;8-15H2,1-7H3;7-15H2,1-6H3;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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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?
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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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 4807.06 g/mol, XLogP of 66.67, 84 rotatable bonds, 1 hydrogen bond donors, and 34 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)-4-(4-tert-butylpiperazin-1-yl)butan-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;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethanone;(4-tert-butyl-4-methylpiperidin-1-yl)-[4-(2,2-dimethylpropyl)cyclohexyl]methanone;1-(4-tert-butylpiperazin-1-yl)-3-(4,4-dimethylpentoxy)propan-1-one;1-(4-tert-butylpiperidin-1-yl)-6,6-dimethylheptan-1-one;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 160810544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).