2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine

C224H433N35O10 — CID 157113302

IUPAC2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
SMILESCC(C)(C)CCCCN1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)CCCCN1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)N1CCC(CN2CCC3(CC2)CN(C(C)(C)C)C3)CC1.CC(C)(C)NCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCC1CC2CC(CN3CCN(C(C)(C)C)CC3)CC2C1.CC(C)(C)OCCCN1CC2(CC(N3CCN(C(C)(C)C)CC3)C2)C1.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.CC(C)(C)OCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)c1cnn(CCCN2CCN(C(C)(C)C)CC2)c1.Cc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1
InChIInChI=1S/C22H42N2O.C21H41N3O.C21H41N3.C19H39N3O.C19H33N3O.C19H38N2O2.C18H32N4O.C18H34N4.C18H39N3O2.2C17H34N2.C15H26N4O/c1-21(2,3)24-9-7-23(8-10-24)15-17-11-19-13-18(14-20(19)12-17)16-25-22(4,5)6;1-19(2,3)24-11-9-23(10-12-24)18-14-21(15-18)16-22(17-21)8-7-13-25-20(4,5)6;1-19(2,3)23-11-7-18(8-12-23)15-22-13-9-21(10-14-22)16-24(17-21)20(4,5)6;1-18(2,3)22-13-11-20(12-14-22)15-17-7-9-21(10-8-17)16-23-19(4,5)6;1-18(2,3)16-7-8-17(20-15-16)22-11-9-21(10-12-22)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)16-14-19-22(15-16)9-7-8-20-10-12-21(13-11-20)18(4,5)6;1-17(2,3)19-7-14-22-15-12-20-8-10-21(11-9-20)13-16-23-18(4,5)6;2*1-16(2,3)9-7-8-10-18-12-15-11-14(18)13-19(15)17(4,5)6;1-13-11-16-14(17-12-13)19-7-5-18(6-8-19)9-10-20-15(2,3)4/h17-20H,7-16H2,1-6H3;18H,7-17H2,1-6H3;18H,7-17H2,1-6H3;17H,7-16H2,1-6H3;7-8,15H,9-14H2,1-6H3;7-16H2,1-6H3;13-14H,7-12H2,1-6H3;14-15H,7-13H2,1-6H3;19H,7-16H2,1-6H3;2*14-15H,7-13H2,1-6H3;11-12H,5-10H2,1-4H3/t;;;;;;;;;2*14-,15-;/m.........10./s1
InChIKeyAHCFQBDVNLGLAL-RZABVPQQSA-N
MW3777.16 g/mol
LogP37.16
Rot. Bonds52

About 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine

2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine (PubChem CID 157113302) has the molecular formula C224H433N35O10 and a molecular weight of 3777.16 g/mol. Its IUPAC name is 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
PubChem CID157113302
Molecular FormulaC224H433N35O10
Molecular Weight3777.16 g/mol
Exact Mass3774.44
IUPAC Name2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
SMILESCC(C)(C)CCCCN1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)CCCCN1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)N1CCC(CN2CCC3(CC2)CN(C(C)(C)C)C3)CC1.CC(C)(C)NCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCC1CC2CC(CN3CCN(C(C)(C)C)CC3)CC2C1.CC(C)(C)OCCCN1CC2(CC(N3CCN(C(C)(C)C)CC3)C2)C1.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.CC(C)(C)OCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)c1cnn(CCCN2CCN(C(C)(C)C)CC2)c1.Cc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1
InChIInChI=1S/C22H42N2O.C21H41N3O.C21H41N3.C19H39N3O.C19H33N3O.C19H38N2O2.C18H32N4O.C18H34N4.C18H39N3O2.2C17H34N2.C15H26N4O/c1-21(2,3)24-9-7-23(8-10-24)15-17-11-19-13-18(14-20(19)12-17)16-25-22(4,5)6;1-19(2,3)24-11-9-23(10-12-24)18-14-21(15-18)16-22(17-21)8-7-13-25-20(4,5)6;1-19(2,3)23-11-7-18(8-12-23)15-22-13-9-21(10-14-22)16-24(17-21)20(4,5)6;1-18(2,3)22-13-11-20(12-14-22)15-17-7-9-21(10-8-17)16-23-19(4,5)6;1-18(2,3)16-7-8-17(20-15-16)22-11-9-21(10-12-22)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)16-14-19-22(15-16)9-7-8-20-10-12-21(13-11-20)18(4,5)6;1-17(2,3)19-7-14-22-15-12-20-8-10-21(11-9-20)13-16-23-18(4,5)6;2*1-16(2,3)9-7-8-10-18-12-15-11-14(18)13-19(15)17(4,5)6;1-13-11-16-14(17-12-13)19-7-5-18(6-8-19)9-10-20-15(2,3)4/h17-20H,7-16H2,1-6H3;18H,7-17H2,1-6H3;18H,7-17H2,1-6H3;17H,7-16H2,1-6H3;7-8,15H,9-14H2,1-6H3;7-16H2,1-6H3;13-14H,7-12H2,1-6H3;14-15H,7-13H2,1-6H3;19H,7-16H2,1-6H3;2*14-15H,7-13H2,1-6H3;11-12H,5-10H2,1-4H3/t;;;;;;;;;2*14-,15-;/m.........10./s1
InChIKeyAHCFQBDVNLGLAL-RZABVPQQSA-N
XLogP37.16
TPSA274.08 Ų
H-Bond Donors1
H-Bond Acceptors45
Rotatable Bonds52
Heavy Atoms269
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003777.16
LogP ≤ 537.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine (CID 157113302) is 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine is CC(C)(C)CCCCN1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)CCCCN1C[C@H]2C[C@@H]1CN2C(C)(C)C.CC(C)(C)N1CCC(CN2CCC3(CC2)CN(C(C)(C)C)C3)CC1.CC(C)(C)NCCOCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCC1CC2CC(CN3CCN(C(C)(C)C)CC3)CC2C1.CC(C)(C)OCCCN1CC2(CC(N3CCN(C(C)(C)C)CC3)C2)C1.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.CC(C)(C)OCN1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)c1cnn(CCCN2CCN(C(C)(C)C)CC2)c1.Cc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1.
What is the InChIKey of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
The InChIKey is AHCFQBDVNLGLAL-RZABVPQQSA-N. The full InChI is InChI=1S/C22H42N2O.C21H41N3O.C21H41N3.C19H39N3O.C19H33N3O.C19H38N2O2.C18H32N4O.C18H34N4.C18H39N3O2.2C17H34N2.C15H26N4O/c1-21(2,3)24-9-7-23(8-10-24)15-17-11-19-13-18(14-20(19)12-17)16-25-22(4,5)6;1-19(2,3)24-11-9-23(10-12-24)18-14-21(15-18)16-22(17-21)8-7-13-25-20(4,5)6;1-19(2,3)23-11-7-18(8-12-23)15-22-13-9-21(10-14-22)16-24(17-21)20(4,5)6;1-18(2,3)22-13-11-20(12-14-22)15-17-7-9-21(10-8-17)16-23-19(4,5)6;1-18(2,3)16-7-8-17(20-15-16)22-11-9-21(10-12-22)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)16-14-19-22(15-16)9-7-8-20-10-12-21(13-11-20)18(4,5)6;1-17(2,3)19-7-14-22-15-12-20-8-10-21(11-9-20)13-16-23-18(4,5)6;2*1-16(2,3)9-7-8-10-18-12-15-11-14(18)13-19(15)17(4,5)6;1-13-11-16-14(17-12-13)19-7-5-18(6-8-19)9-10-20-15(2,3)4/h17-20H,7-16H2,1-6H3;18H,7-17H2,1-6H3;18H,7-17H2,1-6H3;17H,7-16H2,1-6H3;7-8,15H,9-14H2,1-6H3;7-16H2,1-6H3;13-14H,7-12H2,1-6H3;14-15H,7-13H2,1-6H3;19H,7-16H2,1-6H3;2*14-15H,7-13H2,1-6H3;11-12H,5-10H2,1-4H3/t;;;;;;;;;2*14-,15-;/m.........10./s1.
What are the key properties of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 3777.16 g/mol, XLogP of 37.16, 52 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]methyl]piperazine;1-tert-butyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]methyl]piperazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]propan-2-amine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 157113302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).