(3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine

C191H377FN24O8 — CID 158067307

IUPAC(3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)(C)C1CCC(CCCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCN1CCCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CN1CCN(Cc2ccc(CCOC(C)(C)C)cn2)CC1.CC(C)(C)OCC1CCC(CN2CCN(C(C)(C)C)CC2)O1.CC(C)(C)OCCCN1C[C@@]2(C)CN(C(C)(C)C)C[C@@]2(C)C1.CC(C)CN1CCC(C)(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)CN1CCC(O)(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)N1CCN(CCC2CC(COC(C)(C)C)C2)CC1.CC(CC1CCC(OC(C)(C)C)C1)CN1CCN(C(C)(C)C)CC1.COCC1(F)CC2CC(CN3CCN(C)CC3)CC2C1
InChIInChI=1S/C21H37N3O.C21H43N3.C21H42N2O.C20H40N2.C19H39N3.C19H38N2O.C18H37N3O.C18H36N2O2.C18H36N2O.C16H29FN2O/c1-20(2,3)17-24-12-10-23(11-13-24)16-19-8-7-18(15-22-19)9-14-25-21(4,5)6;1-20(2,3)10-15-22-11-7-12-23(17-16-22)18-19-8-13-24(14-9-19)21(4,5)6;1-17(14-18-8-9-19(15-18)24-21(5,6)7)16-22-10-12-23(13-11-22)20(2,3)4;1-19(2,3)18-10-9-17(16-18)8-7-11-21-12-14-22(15-13-21)20(4,5)6;1-17(2)15-20-9-7-19(6,8-10-20)16-21-11-13-22(14-12-21)18(3,4)5;1-16(2,3)21-14-18(7)12-20(13-19(18,8)15-21)10-9-11-22-17(4,5)6;1-16(2)14-19-8-6-18(22,7-9-19)15-20-10-12-21(13-11-20)17(3,4)5;1-17(2,3)20-11-9-19(10-12-20)13-15-7-8-16(22-15)14-21-18(4,5)6;1-15(2)20-10-8-19(9-11-20)7-6-16-12-17(13-16)14-21-18(3,4)5;1-18-3-5-19(6-4-18)11-13-7-14-9-16(17,12-20-2)10-15(14)8-13/h7-8,15H,9-14,16-17H2,1-6H3;19H,7-18H2,1-6H3;17-19H,8-16H2,1-7H3;17-18H,7-16H2,1-6H3;17H,7-16H2,1-6H3;9-15H2,1-8H3;16,22H,6-15H2,1-5H3;15-16H,7-14H2,1-6H3;15-17H,6-14H2,1-5H3;13-15H,3-12H2,1-2H3/t;;;;;18-,19+;;;;
InChIKeyFLJUUMUEFADIBE-CDJUMITRSA-N
MW3157.27 g/mol
LogP33.31
Rot. Bonds45

About (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine

(3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine (PubChem CID 158067307) has the molecular formula C191H377FN24O8 and a molecular weight of 3157.27 g/mol. Its IUPAC name is (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine
PubChem CID158067307
Molecular FormulaC191H377FN24O8
Molecular Weight3157.27 g/mol
Exact Mass3154.98
IUPAC Name(3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)(C)C1CCC(CCCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCN1CCCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CN1CCN(Cc2ccc(CCOC(C)(C)C)cn2)CC1.CC(C)(C)OCC1CCC(CN2CCN(C(C)(C)C)CC2)O1.CC(C)(C)OCCCN1C[C@@]2(C)CN(C(C)(C)C)C[C@@]2(C)C1.CC(C)CN1CCC(C)(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)CN1CCC(O)(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)N1CCN(CCC2CC(COC(C)(C)C)C2)CC1.CC(CC1CCC(OC(C)(C)C)C1)CN1CCN(C(C)(C)C)CC1.COCC1(F)CC2CC(CN3CCN(C)CC3)CC2C1
InChIInChI=1S/C21H37N3O.C21H43N3.C21H42N2O.C20H40N2.C19H39N3.C19H38N2O.C18H37N3O.C18H36N2O2.C18H36N2O.C16H29FN2O/c1-20(2,3)17-24-12-10-23(11-13-24)16-19-8-7-18(15-22-19)9-14-25-21(4,5)6;1-20(2,3)10-15-22-11-7-12-23(17-16-22)18-19-8-13-24(14-9-19)21(4,5)6;1-17(14-18-8-9-19(15-18)24-21(5,6)7)16-22-10-12-23(13-11-22)20(2,3)4;1-19(2,3)18-10-9-17(16-18)8-7-11-21-12-14-22(15-13-21)20(4,5)6;1-17(2)15-20-9-7-19(6,8-10-20)16-21-11-13-22(14-12-21)18(3,4)5;1-16(2,3)21-14-18(7)12-20(13-19(18,8)15-21)10-9-11-22-17(4,5)6;1-16(2)14-19-8-6-18(22,7-9-19)15-20-10-12-21(13-11-20)17(3,4)5;1-17(2,3)20-11-9-19(10-12-20)13-15-7-8-16(22-15)14-21-18(4,5)6;1-15(2)20-10-8-19(9-11-20)7-6-16-12-17(13-16)14-21-18(3,4)5;1-18-3-5-19(6-4-18)11-13-7-14-9-16(17,12-20-2)10-15(14)8-13/h7-8,15H,9-14,16-17H2,1-6H3;19H,7-18H2,1-6H3;17-19H,8-16H2,1-7H3;17-18H,7-16H2,1-6H3;17H,7-16H2,1-6H3;9-15H2,1-8H3;16,22H,6-15H2,1-5H3;15-16H,7-14H2,1-6H3;15-17H,6-14H2,1-5H3;13-15H,3-12H2,1-2H3/t;;;;;18-,19+;;;;
InChIKeyFLJUUMUEFADIBE-CDJUMITRSA-N
XLogP33.31
TPSA172.25 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds45
Heavy Atoms224
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003157.27
LogP ≤ 533.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine?
The IUPAC name of (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine (CID 158067307) is (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine?
The canonical SMILES for (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine is CC(C)(C)C1CCC(CCCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)CCN1CCCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CN1CCN(Cc2ccc(CCOC(C)(C)C)cn2)CC1.CC(C)(C)OCC1CCC(CN2CCN(C(C)(C)C)CC2)O1.CC(C)(C)OCCCN1C[C@@]2(C)CN(C(C)(C)C)C[C@@]2(C)C1.CC(C)CN1CCC(C)(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)CN1CCC(O)(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)N1CCN(CCC2CC(COC(C)(C)C)C2)CC1.CC(CC1CCC(OC(C)(C)C)C1)CN1CCN(C(C)(C)C)CC1.COCC1(F)CC2CC(CN3CCN(C)CC3)CC2C1.
What is the InChIKey of (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine?
The InChIKey is FLJUUMUEFADIBE-CDJUMITRSA-N. The full InChI is InChI=1S/C21H37N3O.C21H43N3.C21H42N2O.C20H40N2.C19H39N3.C19H38N2O.C18H37N3O.C18H36N2O2.C18H36N2O.C16H29FN2O/c1-20(2,3)17-24-12-10-23(11-13-24)16-19-8-7-18(15-22-19)9-14-25-21(4,5)6;1-20(2,3)10-15-22-11-7-12-23(17-16-22)18-19-8-13-24(14-9-19)21(4,5)6;1-17(14-18-8-9-19(15-18)24-21(5,6)7)16-22-10-12-23(13-11-22)20(2,3)4;1-19(2,3)18-10-9-17(16-18)8-7-11-21-12-14-22(15-13-21)20(4,5)6;1-17(2)15-20-9-7-19(6,8-10-20)16-21-11-13-22(14-12-21)18(3,4)5;1-16(2,3)21-14-18(7)12-20(13-19(18,8)15-21)10-9-11-22-17(4,5)6;1-16(2)14-19-8-6-18(22,7-9-19)15-20-10-12-21(13-11-20)17(3,4)5;1-17(2,3)20-11-9-19(10-12-20)13-15-7-8-16(22-15)14-21-18(4,5)6;1-15(2)20-10-8-19(9-11-20)7-6-16-12-17(13-16)14-21-18(3,4)5;1-18-3-5-19(6-4-18)11-13-7-14-9-16(17,12-20-2)10-15(14)8-13/h7-8,15H,9-14,16-17H2,1-6H3;19H,7-18H2,1-6H3;17-19H,8-16H2,1-7H3;17-18H,7-16H2,1-6H3;17H,7-16H2,1-6H3;9-15H2,1-8H3;16,22H,6-15H2,1-5H3;15-16H,7-14H2,1-6H3;15-17H,6-14H2,1-5H3;13-15H,3-12H2,1-2H3/t;;;;;18-,19+;;;;.
What are the key properties of (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine?
(3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine has a molecular weight of 3157.27 g/mol, XLogP of 33.31, 45 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;1-tert-butyl-4-[3-(3-tert-butylcyclopentyl)propyl]piperazine;1-tert-butyl-4-[2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclopentyl]propyl]piperazine;1-tert-butyl-4-[[4-methyl-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]methyl]piperazine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2-methylpropyl)piperidin-4-ol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;1-(2,2-dimethylpropyl)-4-[[5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-pyridinyl]methyl]piperazine;1-[[5-fluoro-5-(methoxymethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methyl]-4-methylpiperazine;1-[2-[3-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]ethyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 158067307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).