1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)

C233H479N37O3 — CID 158622898

IUPAC1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)
SMILESCC(C)(C)N1CCC(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)N(CC1CCN(C(C)(C)C)CC1)C1CC(OC(C)(C)C)C1.CC(C)N(CC1CCN(C(C)(C)C)CC1)C1CC(OC(C)(C)C)C1.CN(C)CCN(CC1CCN(C(C)(C)C)CC1)C1CC(OC(C)(C)C)C1.CN(C)C[C@@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.CN(C)C[C@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.C[C@@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.C[C@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C22H45N3O.2C21H44N4.2C21H42N2O.3C19H39N3.C18H38N4.C18H37N3.2C17H35N3/c1-21(2,3)25-11-9-18(10-12-25)17-24(14-13-23(7)8)19-15-20(16-19)26-22(4,5)6;2*1-20(2,3)24-11-9-18(10-12-24)15-23-13-14-25(21(4,5)6)17-19(23)16-22(7)8;2*1-16(2)23(18-13-19(14-18)24-21(6,7)8)15-17-9-11-22(12-10-17)20(3,4)5;2*1-16-14-22(19(5,6)7)13-12-20(16)15-17-8-10-21(11-9-17)18(2,3)4;1-18(2,3)21-11-8-17(9-12-21)7-10-20-13-15-22(16-14-20)19(4,5)6;1-17(2,3)21-13-9-19(10-14-21)7-8-20-11-15-22(16-12-20)18(4,5)6;1-17(2,3)20-9-7-16(8-10-20)15-19-11-13-21(14-12-19)18(4,5)6;2*1-16(2,3)19-11-9-18(10-12-19)13-15-7-8-20(14-15)17(4,5)6/h18-20H,9-17H2,1-8H3;2*18-19H,9-17H2,1-8H3;2*16-19H,9-15H2,1-8H3;2*16-17H,8-15H2,1-7H3;17H,7-16H2,1-6H3;7-16H2,1-6H3;16H,7-15H2,1-6H3;2*15H,7-14H2,1-6H3/t;2*19-;;;2*16-;;;;2*15-/m.10..10...10/s1
InChIKeyHYFMRYIROMTCIG-MNASJYTOSA-N
MW3847.65 g/mol
LogP38.18
Rot. Bonds41

About 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)

1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) (PubChem CID 158622898) has the molecular formula C233H479N37O3 and a molecular weight of 3847.65 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine).

Molecular Properties

Compound Name1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)
PubChem CID158622898
Molecular FormulaC233H479N37O3
Molecular Weight3847.65 g/mol
Exact Mass3844.85
IUPAC Name1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)
SMILESCC(C)(C)N1CCC(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)N(CC1CCN(C(C)(C)C)CC1)C1CC(OC(C)(C)C)C1.CC(C)N(CC1CCN(C(C)(C)C)CC1)C1CC(OC(C)(C)C)C1.CN(C)CCN(CC1CCN(C(C)(C)C)CC1)C1CC(OC(C)(C)C)C1.CN(C)C[C@@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.CN(C)C[C@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.C[C@@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.C[C@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C22H45N3O.2C21H44N4.2C21H42N2O.3C19H39N3.C18H38N4.C18H37N3.2C17H35N3/c1-21(2,3)25-11-9-18(10-12-25)17-24(14-13-23(7)8)19-15-20(16-19)26-22(4,5)6;2*1-20(2,3)24-11-9-18(10-12-24)15-23-13-14-25(21(4,5)6)17-19(23)16-22(7)8;2*1-16(2)23(18-13-19(14-18)24-21(6,7)8)15-17-9-11-22(12-10-17)20(3,4)5;2*1-16-14-22(19(5,6)7)13-12-20(16)15-17-8-10-21(11-9-17)18(2,3)4;1-18(2,3)21-11-8-17(9-12-21)7-10-20-13-15-22(16-14-20)19(4,5)6;1-17(2,3)21-13-9-19(10-14-21)7-8-20-11-15-22(16-12-20)18(4,5)6;1-17(2,3)20-9-7-16(8-10-20)15-19-11-13-21(14-12-19)18(4,5)6;2*1-16(2,3)19-11-9-18(10-12-19)13-15-7-8-20(14-15)17(4,5)6/h18-20H,9-17H2,1-8H3;2*18-19H,9-17H2,1-8H3;2*16-19H,9-15H2,1-8H3;2*16-17H,8-15H2,1-7H3;17H,7-16H2,1-6H3;7-16H2,1-6H3;16H,7-15H2,1-6H3;2*15H,7-14H2,1-6H3/t;2*19-;;;2*16-;;;;2*15-/m.10..10...10/s1
InChIKeyHYFMRYIROMTCIG-MNASJYTOSA-N
XLogP38.18
TPSA147.57 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds41
Heavy Atoms273
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003847.65
LogP ≤ 538.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)?
The IUPAC name of 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) (CID 158622898) is 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine).
What is the SMILES notation for 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)?
The canonical SMILES for 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) is CC(C)(C)N1CCC(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)N(CC1CCN(C(C)(C)C)CC1)C1CC(OC(C)(C)C)C1.CC(C)N(CC1CCN(C(C)(C)C)CC1)C1CC(OC(C)(C)C)C1.CN(C)CCN(CC1CCN(C(C)(C)C)CC1)C1CC(OC(C)(C)C)C1.CN(C)C[C@@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.CN(C)C[C@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.C[C@@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.C[C@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)?
The InChIKey is HYFMRYIROMTCIG-MNASJYTOSA-N. The full InChI is InChI=1S/C22H45N3O.2C21H44N4.2C21H42N2O.3C19H39N3.C18H38N4.C18H37N3.2C17H35N3/c1-21(2,3)25-11-9-18(10-12-25)17-24(14-13-23(7)8)19-15-20(16-19)26-22(4,5)6;2*1-20(2,3)24-11-9-18(10-12-24)15-23-13-14-25(21(4,5)6)17-19(23)16-22(7)8;2*1-16(2)23(18-13-19(14-18)24-21(6,7)8)15-17-9-11-22(12-10-17)20(3,4)5;2*1-16-14-22(19(5,6)7)13-12-20(16)15-17-8-10-21(11-9-17)18(2,3)4;1-18(2,3)21-11-8-17(9-12-21)7-10-20-13-15-22(16-14-20)19(4,5)6;1-17(2,3)21-13-9-19(10-14-21)7-8-20-11-15-22(16-12-20)18(4,5)6;1-17(2,3)20-9-7-16(8-10-20)15-19-11-13-21(14-12-19)18(4,5)6;2*1-16(2,3)19-11-9-18(10-12-19)13-15-7-8-20(14-15)17(4,5)6/h18-20H,9-17H2,1-8H3;2*18-19H,9-17H2,1-8H3;2*16-19H,9-15H2,1-8H3;2*16-17H,8-15H2,1-7H3;17H,7-16H2,1-6H3;7-16H2,1-6H3;16H,7-15H2,1-6H3;2*15H,7-14H2,1-6H3/t;2*19-;;;2*16-;;;;2*15-/m.10..10...10/s1.
What are the key properties of 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine)?
1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) has a molecular weight of 3847.65 g/mol, XLogP of 38.18, 41 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-[(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]piperazin-2-yl]-N,N-dimethylmethanamine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N'-[(1-tert-butylpiperidin-4-yl)methyl]-N,N-dimethyl-N'-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]ethane-1,2-diamine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) is sourced from PubChem (CID 158622898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).