1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine

C266H533N31O16 — CID 160665247

IUPAC1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine
SMILESCC(C)(C)CCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2C[C@@H]3C[C@H]2CN3C(C)(C)C)CC1.CC(C)(C)N1CCN(CCOC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OCCC1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCCCN1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)OCCN1CCC(N2C[C@@H]3C[C@H]2CN3C(C)(C)C)CC1.CC(C)(C)OCCN1CCC(N2C[C@H]3C[C@@H]2CN3C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)OCN1CCC(CN2CCN(C(C)(C)C)CC2)C1.CC(CC1CCN(CC2CC(OC(C)(C)C)C2)CC1)OC(C)(C)C.CC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)OC(C)(C)C.CC1CN(C(C)(C)C)C(C)CN1COC(C)(C)C.CC1CN(C(C)(C)C)CC(C)N1COC(C)(C)C
InChIInChI=1S/C21H41N3.C21H42N2.C21H41NO2.2C20H39N3O.C20H40N2O2.C20H40N2O.C20H39NO2.C19H38N2O2.2C18H37N3O.C18H36N2O.2C15H32N2O/c1-20(2,3)9-12-22-10-7-17(8-11-22)14-23-15-19-13-18(23)16-24(19)21(4,5)6;1-20(2,3)11-16-22-12-7-18(8-13-22)17-23-14-9-19(10-15-23)21(4,5)6;1-16(23-20(2,3)4)12-17-8-10-22(11-9-17)15-18-13-19(14-18)24-21(5,6)7;2*1-19(2,3)23-15-17-13-18(23)14-22(17)16-7-9-21(10-8-16)11-12-24-20(4,5)6;1-16(23-19(2,3)4)14-21-8-10-22(11-9-21)15-17-12-18(13-17)24-20(5,6)7;1-19(2,3)18-9-13-21(14-10-18)15-17-7-11-22(12-8-17)16-23-20(4,5)6;1-19(2,3)22-12-9-16-7-10-21(11-8-16)15-17-13-18(14-17)23-20(4,5)6;1-18(2,3)22-12-11-20-7-9-21(10-8-20)15-16-13-17(14-16)23-19(4,5)6;1-17(2,3)21-11-9-19(10-12-21)13-16-7-8-20(14-16)15-22-18(4,5)6;1-17(2,3)20-11-9-19(10-12-20)13-14-22-16-7-8-21(15-16)18(4,5)6;1-16(2,3)20-14-18(15-20)8-11-19(12-9-18)10-7-13-21-17(4,5)6;1-12-10-17(14(3,4)5)13(2)9-16(12)11-18-15(6,7)8;1-12-9-16(14(3,4)5)10-13(2)17(12)11-18-15(6,7)8/h17-19H,7-16H2,1-6H3;18-19H,7-17H2,1-6H3;16-19H,8-15H2,1-7H3;2*16-18H,7-15H2,1-6H3;16-18H,8-15H2,1-7H3;17-18H,7-16H2,1-6H3;16-18H,7-15H2,1-6H3;16-17H,7-15H2,1-6H3;2*16H,7-15H2,1-6H3;7-15H2,1-6H3;2*12-13H,9-11H2,1-8H3/t18-,19-;;;2*17-,18-;;;;;;;;;/m0..10........./s1
InChIKeyRMFAAUPZELOGHM-QQVIJEBUSA-N
MW4422.39 g/mol
LogP48.34
Rot. Bonds60

About 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine

1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine (PubChem CID 160665247) has the molecular formula C266H533N31O16 and a molecular weight of 4422.39 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine
PubChem CID160665247
Molecular FormulaC266H533N31O16
Molecular Weight4422.39 g/mol
Exact Mass4419.18
IUPAC Name1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine
SMILESCC(C)(C)CCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2C[C@@H]3C[C@H]2CN3C(C)(C)C)CC1.CC(C)(C)N1CCN(CCOC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OCCC1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCCCN1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)OCCN1CCC(N2C[C@@H]3C[C@H]2CN3C(C)(C)C)CC1.CC(C)(C)OCCN1CCC(N2C[C@H]3C[C@@H]2CN3C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)OCN1CCC(CN2CCN(C(C)(C)C)CC2)C1.CC(CC1CCN(CC2CC(OC(C)(C)C)C2)CC1)OC(C)(C)C.CC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)OC(C)(C)C.CC1CN(C(C)(C)C)C(C)CN1COC(C)(C)C.CC1CN(C(C)(C)C)CC(C)N1COC(C)(C)C
InChIInChI=1S/C21H41N3.C21H42N2.C21H41NO2.2C20H39N3O.C20H40N2O2.C20H40N2O.C20H39NO2.C19H38N2O2.2C18H37N3O.C18H36N2O.2C15H32N2O/c1-20(2,3)9-12-22-10-7-17(8-11-22)14-23-15-19-13-18(23)16-24(19)21(4,5)6;1-20(2,3)11-16-22-12-7-18(8-13-22)17-23-14-9-19(10-15-23)21(4,5)6;1-16(23-20(2,3)4)12-17-8-10-22(11-9-17)15-18-13-19(14-18)24-21(5,6)7;2*1-19(2,3)23-15-17-13-18(23)14-22(17)16-7-9-21(10-8-16)11-12-24-20(4,5)6;1-16(23-19(2,3)4)14-21-8-10-22(11-9-21)15-17-12-18(13-17)24-20(5,6)7;1-19(2,3)18-9-13-21(14-10-18)15-17-7-11-22(12-8-17)16-23-20(4,5)6;1-19(2,3)22-12-9-16-7-10-21(11-8-16)15-17-13-18(14-17)23-20(4,5)6;1-18(2,3)22-12-11-20-7-9-21(10-8-20)15-16-13-17(14-16)23-19(4,5)6;1-17(2,3)21-11-9-19(10-12-21)13-16-7-8-20(14-16)15-22-18(4,5)6;1-17(2,3)20-11-9-19(10-12-20)13-14-22-16-7-8-21(15-16)18(4,5)6;1-16(2,3)20-14-18(15-20)8-11-19(12-9-18)10-7-13-21-17(4,5)6;1-12-10-17(14(3,4)5)13(2)9-16(12)11-18-15(6,7)8;1-12-9-16(14(3,4)5)10-13(2)17(12)11-18-15(6,7)8/h17-19H,7-16H2,1-6H3;18-19H,7-17H2,1-6H3;16-19H,8-15H2,1-7H3;2*16-18H,7-15H2,1-6H3;16-18H,8-15H2,1-7H3;17-18H,7-16H2,1-6H3;16-18H,7-15H2,1-6H3;16-17H,7-15H2,1-6H3;2*16H,7-15H2,1-6H3;7-15H2,1-6H3;2*12-13H,9-11H2,1-8H3/t18-,19-;;;2*17-,18-;;;;;;;;;/m0..10........./s1
InChIKeyRMFAAUPZELOGHM-QQVIJEBUSA-N
XLogP48.34
TPSA248.12 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds60
Heavy Atoms313
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004422.39
LogP ≤ 548.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Analyze 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine with MolForge

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What is the IUPAC name of 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine?
The IUPAC name of 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine (CID 160665247) is 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine is CC(C)(C)CCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)CCN1CCC(CN2C[C@@H]3C[C@H]2CN3C(C)(C)C)CC1.CC(C)(C)N1CCN(CCOC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OCCC1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCCCN1CCC2(CC1)CN(C(C)(C)C)C2.CC(C)(C)OCCN1CCC(N2C[C@@H]3C[C@H]2CN3C(C)(C)C)CC1.CC(C)(C)OCCN1CCC(N2C[C@H]3C[C@@H]2CN3C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCN1CCC(CN2CCC(C(C)(C)C)CC2)CC1.CC(C)(C)OCN1CCC(CN2CCN(C(C)(C)C)CC2)C1.CC(CC1CCN(CC2CC(OC(C)(C)C)C2)CC1)OC(C)(C)C.CC(CN1CCN(CC2CC(OC(C)(C)C)C2)CC1)OC(C)(C)C.CC1CN(C(C)(C)C)C(C)CN1COC(C)(C)C.CC1CN(C(C)(C)C)CC(C)N1COC(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine?
The InChIKey is RMFAAUPZELOGHM-QQVIJEBUSA-N. The full InChI is InChI=1S/C21H41N3.C21H42N2.C21H41NO2.2C20H39N3O.C20H40N2O2.C20H40N2O.C20H39NO2.C19H38N2O2.2C18H37N3O.C18H36N2O.2C15H32N2O/c1-20(2,3)9-12-22-10-7-17(8-11-22)14-23-15-19-13-18(23)16-24(19)21(4,5)6;1-20(2,3)11-16-22-12-7-18(8-13-22)17-23-14-9-19(10-15-23)21(4,5)6;1-16(23-20(2,3)4)12-17-8-10-22(11-9-17)15-18-13-19(14-18)24-21(5,6)7;2*1-19(2,3)23-15-17-13-18(23)14-22(17)16-7-9-21(10-8-16)11-12-24-20(4,5)6;1-16(23-19(2,3)4)14-21-8-10-22(11-9-21)15-17-12-18(13-17)24-20(5,6)7;1-19(2,3)18-9-13-21(14-10-18)15-17-7-11-22(12-8-17)16-23-20(4,5)6;1-19(2,3)22-12-9-16-7-10-21(11-8-16)15-17-13-18(14-17)23-20(4,5)6;1-18(2,3)22-12-11-20-7-9-21(10-8-20)15-16-13-17(14-16)23-19(4,5)6;1-17(2,3)21-11-9-19(10-12-21)13-16-7-8-20(14-16)15-22-18(4,5)6;1-17(2,3)20-11-9-19(10-12-20)13-14-22-16-7-8-21(15-16)18(4,5)6;1-16(2,3)20-14-18(15-20)8-11-19(12-9-18)10-7-13-21-17(4,5)6;1-12-10-17(14(3,4)5)13(2)9-16(12)11-18-15(6,7)8;1-12-9-16(14(3,4)5)10-13(2)17(12)11-18-15(6,7)8/h17-19H,7-16H2,1-6H3;18-19H,7-17H2,1-6H3;16-19H,8-15H2,1-7H3;2*16-18H,7-15H2,1-6H3;16-18H,8-15H2,1-7H3;17-18H,7-16H2,1-6H3;16-18H,7-15H2,1-6H3;16-17H,7-15H2,1-6H3;2*16H,7-15H2,1-6H3;7-15H2,1-6H3;2*12-13H,9-11H2,1-8H3/t18-,19-;;;2*17-,18-;;;;;;;;;/m0..10........./s1.
What are the key properties of 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine?
1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine has a molecular weight of 4422.39 g/mol, XLogP of 48.34, 60 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1S,4S)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]piperazine;4-tert-butyl-2,6-dimethyl-1-[(2-methylpropan-2-yl)oxymethyl]piperazine;(1S,4S)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-2,5-diazabicyclo[2.2.1]heptane;4-tert-butyl-1-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]propyl]piperidine is sourced from PubChem (CID 160665247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).