1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one

C258H543N21O21 — CID 159478587

IUPAC1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one
SMILESCC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(=O)CC(C)(C)C.CC(C)(C)CC1CCN(C2CN(CC(C)(C)C)C2)CC1.CC(C)(C)CCCOC(C)(C)C.CC(C)(C)CCCOCC(C)(C)C.CC(C)(C)CCCOCC(C)(C)C.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CN1CC(N2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CN1CCN(C2CN(CC(C)(C)C)C2)CC1.CC(C)(C)COCCC(=O)CC(C)(C)C.CC(C)(C)COCCN1CCN(C(C)(C)C)CC1.CC(C)(C)COCCOC(=O)C(C)(C)C.CC(C)(C)COCCOC(C)(C)C.CC(C)(C)COCCOCC(C)(C)C.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCOC(C)(C)C.CC(C)OCCC(=O)CC(C)(C)C
InChIInChI=1S/C18H36N2.C17H35N3.C16H33N3.C15H32N2O.C14H31N3.2C14H30N2O.C14H30N2.C13H26O2.C12H26N2.C12H24O3.C12H26O2.2C12H26O.C11H24O2.C11H22O2.C11H22O.C11H24O.C10H20O.C9H20O2/c1-17(2,3)11-15-7-9-20(10-8-15)16-12-19(13-16)14-18(4,5)6;1-16(2,3)13-18-7-9-20(10-8-18)15-11-19(12-15)14-17(4,5)6;1-15(2,3)13-17-11-14(12-17)18-7-9-19(10-8-18)16(4,5)6;1-14(2,3)13-18-12-11-16-7-9-17(10-8-16)15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;2*1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)9-11(14)7-8-15-10-13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-14-7-8-15-10(13)12(4,5)6;1-11(2,3)9-13-7-8-14-10-12(4,5)6;2*1-11(2,3)8-7-9-13-10-12(4,5)6;1-10(2,3)9-12-7-8-13-11(4,5)6;1-9(2)13-7-6-10(12)8-11(3,4)5;1-10(2,3)7-9(12)8-11(4,5)6;1-10(2,3)8-7-9-12-11(4,5)6;1-9(2,3)7-8(11)10(4,5)6;1-8(2,3)10-7-11-9(4,5)6/h15-16H,7-14H2,1-6H3;15H,7-14H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3;15H,7-12H2,1-6H3;2*7-12H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3;7-10H2,1-6H3;2*7-10H2,1-6H3;7-9H2,1-6H3;9H,6-8H2,1-5H3;7-8H2,1-6H3;7-9H2,1-6H3;2*7H2,1-6H3
InChIKeyLWRXNHIPITXTDW-UHFFFAOYSA-N
MW4276.31 g/mol
LogP57.39
Rot. Bonds62

About 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one

1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one (PubChem CID 159478587) has the molecular formula C258H543N21O21 and a molecular weight of 4276.31 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one.

Molecular Properties

Compound Name1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one
PubChem CID159478587
Molecular FormulaC258H543N21O21
Molecular Weight4276.31 g/mol
Exact Mass4273.21
IUPAC Name1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one
SMILESCC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(=O)CC(C)(C)C.CC(C)(C)CC1CCN(C2CN(CC(C)(C)C)C2)CC1.CC(C)(C)CCCOC(C)(C)C.CC(C)(C)CCCOCC(C)(C)C.CC(C)(C)CCCOCC(C)(C)C.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CN1CC(N2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CN1CCN(C2CN(CC(C)(C)C)C2)CC1.CC(C)(C)COCCC(=O)CC(C)(C)C.CC(C)(C)COCCN1CCN(C(C)(C)C)CC1.CC(C)(C)COCCOC(=O)C(C)(C)C.CC(C)(C)COCCOC(C)(C)C.CC(C)(C)COCCOCC(C)(C)C.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCOC(C)(C)C.CC(C)OCCC(=O)CC(C)(C)C
InChIInChI=1S/C18H36N2.C17H35N3.C16H33N3.C15H32N2O.C14H31N3.2C14H30N2O.C14H30N2.C13H26O2.C12H26N2.C12H24O3.C12H26O2.2C12H26O.C11H24O2.C11H22O2.C11H22O.C11H24O.C10H20O.C9H20O2/c1-17(2,3)11-15-7-9-20(10-8-15)16-12-19(13-16)14-18(4,5)6;1-16(2,3)13-18-7-9-20(10-8-18)15-11-19(12-15)14-17(4,5)6;1-15(2,3)13-17-11-14(12-17)18-7-9-19(10-8-18)16(4,5)6;1-14(2,3)13-18-12-11-16-7-9-17(10-8-16)15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;2*1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)9-11(14)7-8-15-10-13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-14-7-8-15-10(13)12(4,5)6;1-11(2,3)9-13-7-8-14-10-12(4,5)6;2*1-11(2,3)8-7-9-13-10-12(4,5)6;1-10(2,3)9-12-7-8-13-11(4,5)6;1-9(2)13-7-6-10(12)8-11(3,4)5;1-10(2,3)7-9(12)8-11(4,5)6;1-10(2,3)8-7-9-12-11(4,5)6;1-9(2,3)7-8(11)10(4,5)6;1-8(2,3)10-7-11-9(4,5)6/h15-16H,7-14H2,1-6H3;15H,7-14H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3;15H,7-12H2,1-6H3;2*7-12H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3;7-10H2,1-6H3;2*7-10H2,1-6H3;7-9H2,1-6H3;9H,6-8H2,1-5H3;7-8H2,1-6H3;7-9H2,1-6H3;2*7H2,1-6H3
InChIKeyLWRXNHIPITXTDW-UHFFFAOYSA-N
XLogP57.39
TPSA309.86 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds62
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004276.31
LogP ≤ 557.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Analyze 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one?
The IUPAC name of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one (CID 159478587) is 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one.
What is the SMILES notation for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one?
The canonical SMILES for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one is CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(=O)CC(C)(C)C.CC(C)(C)CC1CCN(C2CN(CC(C)(C)C)C2)CC1.CC(C)(C)CCCOC(C)(C)C.CC(C)(C)CCCOCC(C)(C)C.CC(C)(C)CCCOCC(C)(C)C.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)CN1CC(N2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CN1CCN(C2CN(CC(C)(C)C)C2)CC1.CC(C)(C)COCCC(=O)CC(C)(C)C.CC(C)(C)COCCN1CCN(C(C)(C)C)CC1.CC(C)(C)COCCOC(=O)C(C)(C)C.CC(C)(C)COCCOC(C)(C)C.CC(C)(C)COCCOCC(C)(C)C.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCOC(C)(C)C.CC(C)OCCC(=O)CC(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one?
The InChIKey is LWRXNHIPITXTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2.C17H35N3.C16H33N3.C15H32N2O.C14H31N3.2C14H30N2O.C14H30N2.C13H26O2.C12H26N2.C12H24O3.C12H26O2.2C12H26O.C11H24O2.C11H22O2.C11H22O.C11H24O.C10H20O.C9H20O2/c1-17(2,3)11-15-7-9-20(10-8-15)16-12-19(13-16)14-18(4,5)6;1-16(2,3)13-18-7-9-20(10-8-18)15-11-19(12-15)14-17(4,5)6;1-15(2,3)13-17-11-14(12-17)18-7-9-19(10-8-18)16(4,5)6;1-14(2,3)13-18-12-11-16-7-9-17(10-8-16)15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;2*1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)9-11(14)7-8-15-10-13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)9-14-7-8-15-10(13)12(4,5)6;1-11(2,3)9-13-7-8-14-10-12(4,5)6;2*1-11(2,3)8-7-9-13-10-12(4,5)6;1-10(2,3)9-12-7-8-13-11(4,5)6;1-9(2)13-7-6-10(12)8-11(3,4)5;1-10(2,3)7-9(12)8-11(4,5)6;1-10(2,3)8-7-9-12-11(4,5)6;1-9(2,3)7-8(11)10(4,5)6;1-8(2,3)10-7-11-9(4,5)6/h15-16H,7-14H2,1-6H3;15H,7-14H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3;15H,7-12H2,1-6H3;2*7-12H2,1-6H3;7-12H2,1-6H3;7-10H2,1-6H3;7-10H2,1-6H3;7-9H2,1-6H3;7-10H2,1-6H3;2*7-10H2,1-6H3;7-9H2,1-6H3;9H,6-8H2,1-5H3;7-8H2,1-6H3;7-9H2,1-6H3;2*7H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one?
1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one has a molecular weight of 4276.31 g/mol, XLogP of 57.39, 62 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine;1-tert-butyl-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;bis(1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;5,5-dimethyl-1-propan-2-yloxyhexan-3-one;1-(2,2-dimethylpropoxy)-5,5-dimethylhexan-3-one;bis(1-(2,2-dimethylpropoxy)-4,4-dimethylpentane);1-[2-(2,2-dimethylpropoxy)ethoxy]-2,2-dimethylpropane;2-(2,2-dimethylpropoxy)ethyl 2,2-dimethylpropanoate;1-(2,2-dimethylpropyl)-4-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperazine;4-(2,2-dimethylpropyl)-1-[1-(2,2-dimethylpropyl)azetidin-3-yl]piperidine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptan-4-one;2,2,5,5-tetramethylhexan-3-one is sourced from PubChem (CID 159478587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).