bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one

C221H419N27O24 — CID 158596436

IUPACbis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one
SMILESCC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)NCCOCCOC(C)(C)C.CC(C)(C)NCCOCCOCCN1CCN(C(C)(C)C)CC1.CC(C)(C)NCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCCOc2ccc(COC(C)(C)C)cn2)CC1.CC(C)(C)OCc1ccc(=O)[nH]c1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)C.CC(C)C.CC(C)C.CC(C)OCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CCc1ccc(OC(C)(C)C)nc1.CCc1ccc(OC(C)C)nc1
InChIInChI=1S/C23H41N3O3.2C22H39N3O.2C21H37N3O2.C20H43N3O3.C19H40N2O4.C18H39N3O2.C12H27NO2.C11H17NO.C10H15NO2.C10H15NO.3C4H10/c1-22(2,3)28-17-15-26-13-11-25(12-14-26)10-7-16-27-21-9-8-20(18-24-21)19-29-23(4,5)6;2*1-21(2,3)11-10-19-8-9-20(23-18-19)26-17-7-12-24-13-15-25(16-14-24)22(4,5)6;2*1-20(2,3)24-13-11-23(12-14-24)10-7-15-25-19-9-8-18(16-22-19)17-26-21(4,5)6;1-19(2,3)21-7-14-24-17-18-25-15-12-22-8-10-23(11-9-22)13-16-26-20(4,5)6;1-18(2)24-17-16-23-15-14-22-12-10-20-6-8-21(9-7-20)11-13-25-19(3,4)5;1-17(2,3)19-7-13-22-15-16-23-14-12-20-8-10-21(11-9-20)18(4,5)6;1-11(2,3)13-7-8-14-9-10-15-12(4,5)6;1-5-9-6-7-10(12-8-9)13-11(2,3)4;1-10(2,3)13-7-8-4-5-9(12)11-6-8;1-4-9-5-6-10(11-7-9)12-8(2)3;3*1-4(2)3/h8-9,18H,7,10-17,19H2,1-6H3;2*8-9,18H,7,10-17H2,1-6H3;2*8-9,16H,7,10-15,17H2,1-6H3;21H,7-18H2,1-6H3;18H,6-17H2,1-5H3;19H,7-16H2,1-6H3;13H,7-10H2,1-6H3;6-8H,5H2,1-4H3;4-6H,7H2,1-3H3,(H,11,12);5-8H,4H2,1-3H3;3*4H,1-3H3
InChIKeyHVBYDAQAHQBVGF-UHFFFAOYSA-N
MW3838.95 g/mol
LogP38.93
Rot. Bonds85

About bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one

bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one (PubChem CID 158596436) has the molecular formula C221H419N27O24 and a molecular weight of 3838.95 g/mol. Its IUPAC name is bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Namebis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one
PubChem CID158596436
Molecular FormulaC221H419N27O24
Molecular Weight3838.95 g/mol
Exact Mass3836.24
IUPAC Namebis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one
SMILESCC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)NCCOCCOC(C)(C)C.CC(C)(C)NCCOCCOCCN1CCN(C(C)(C)C)CC1.CC(C)(C)NCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCCOc2ccc(COC(C)(C)C)cn2)CC1.CC(C)(C)OCc1ccc(=O)[nH]c1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)C.CC(C)C.CC(C)C.CC(C)OCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CCc1ccc(OC(C)(C)C)nc1.CCc1ccc(OC(C)C)nc1
InChIInChI=1S/C23H41N3O3.2C22H39N3O.2C21H37N3O2.C20H43N3O3.C19H40N2O4.C18H39N3O2.C12H27NO2.C11H17NO.C10H15NO2.C10H15NO.3C4H10/c1-22(2,3)28-17-15-26-13-11-25(12-14-26)10-7-16-27-21-9-8-20(18-24-21)19-29-23(4,5)6;2*1-21(2,3)11-10-19-8-9-20(23-18-19)26-17-7-12-24-13-15-25(16-14-24)22(4,5)6;2*1-20(2,3)24-13-11-23(12-14-24)10-7-15-25-19-9-8-18(16-22-19)17-26-21(4,5)6;1-19(2,3)21-7-14-24-17-18-25-15-12-22-8-10-23(11-9-22)13-16-26-20(4,5)6;1-18(2)24-17-16-23-15-14-22-12-10-20-6-8-21(9-7-20)11-13-25-19(3,4)5;1-17(2,3)19-7-13-22-15-16-23-14-12-20-8-10-21(11-9-20)18(4,5)6;1-11(2,3)13-7-8-14-9-10-15-12(4,5)6;1-5-9-6-7-10(12-8-9)13-11(2,3)4;1-10(2,3)13-7-8-4-5-9(12)11-6-8;1-4-9-5-6-10(11-7-9)12-8(2)3;3*1-4(2)3/h8-9,18H,7,10-17,19H2,1-6H3;2*8-9,18H,7,10-17H2,1-6H3;2*8-9,16H,7,10-15,17H2,1-6H3;21H,7-18H2,1-6H3;18H,6-17H2,1-5H3;19H,7-16H2,1-6H3;13H,7-10H2,1-6H3;6-8H,5H2,1-4H3;4-6H,7H2,1-3H3,(H,11,12);5-8H,4H2,1-3H3;3*4H,1-3H3
InChIKeyHVBYDAQAHQBVGF-UHFFFAOYSA-N
XLogP38.93
TPSA423.31 Ų
H-Bond Donors4
H-Bond Acceptors50
Rotatable Bonds85
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003838.95
LogP ≤ 538.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one?
The IUPAC name of bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one (CID 158596436) is bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one.
What is the SMILES notation for bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one?
The canonical SMILES for bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one is CC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)CCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)NCCOCCOC(C)(C)C.CC(C)(C)NCCOCCOCCN1CCN(C(C)(C)C)CC1.CC(C)(C)NCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(CCCOc2ccc(COC(C)(C)C)cn2)CC1.CC(C)(C)OCc1ccc(=O)[nH]c1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)OCc1ccc(OCCCN2CCN(C(C)(C)C)CC2)nc1.CC(C)C.CC(C)C.CC(C)C.CC(C)OCCOCCOCCN1CCN(CCOC(C)(C)C)CC1.CCc1ccc(OC(C)(C)C)nc1.CCc1ccc(OC(C)C)nc1.
What is the InChIKey of bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one?
The InChIKey is HVBYDAQAHQBVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O3.2C22H39N3O.2C21H37N3O2.C20H43N3O3.C19H40N2O4.C18H39N3O2.C12H27NO2.C11H17NO.C10H15NO2.C10H15NO.3C4H10/c1-22(2,3)28-17-15-26-13-11-25(12-14-26)10-7-16-27-21-9-8-20(18-24-21)19-29-23(4,5)6;2*1-21(2,3)11-10-19-8-9-20(23-18-19)26-17-7-12-24-13-15-25(16-14-24)22(4,5)6;2*1-20(2,3)24-13-11-23(12-14-24)10-7-15-25-19-9-8-18(16-22-19)17-26-21(4,5)6;1-19(2,3)21-7-14-24-17-18-25-15-12-22-8-10-23(11-9-22)13-16-26-20(4,5)6;1-18(2)24-17-16-23-15-14-22-12-10-20-6-8-21(9-7-20)11-13-25-19(3,4)5;1-17(2,3)19-7-13-22-15-16-23-14-12-20-8-10-21(11-9-20)18(4,5)6;1-11(2,3)13-7-8-14-9-10-15-12(4,5)6;1-5-9-6-7-10(12-8-9)13-11(2,3)4;1-10(2,3)13-7-8-4-5-9(12)11-6-8;1-4-9-5-6-10(11-7-9)12-8(2)3;3*1-4(2)3/h8-9,18H,7,10-17,19H2,1-6H3;2*8-9,18H,7,10-17H2,1-6H3;2*8-9,16H,7,10-15,17H2,1-6H3;21H,7-18H2,1-6H3;18H,6-17H2,1-5H3;19H,7-16H2,1-6H3;13H,7-10H2,1-6H3;6-8H,5H2,1-4H3;4-6H,7H2,1-3H3,(H,11,12);5-8H,4H2,1-3H3;3*4H,1-3H3.
What are the key properties of bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one?
bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one has a molecular weight of 3838.95 g/mol, XLogP of 38.93, 85 rotatable bonds, 4 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-ethyl-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine;5-[(2-methylpropan-2-yl)oxymethyl]-1H-pyridin-2-one is sourced from PubChem (CID 158596436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).