(3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine

C193H414N22O6S2 — CID 159657468

IUPAC(3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine
SMILESCC(C)(C)C1CCN(CN2CCNCC2)CC1.CC(C)(C)CCCC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(CCO)CC1.CC(C)(C)N1CCC(CN2CCNCC2)CC1.CC(C)(C)N1CCN(CCO)CC1.CC(C)(C)N1CCN(CCS)CC1.CC(C)(C)OC1CCC(CN2CCNCC2)CC1.CC(C)(C)OCCCN1C[C@@]2(C)CN(C(C)(C)C)C[C@@]2(C)C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)S(=O)(=O)CCN1CCN(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C19H38N2O.2C16H33N.C15H30N2O.C15H32N2.2C14H29N3.C13H28N2O2S.C12H25N.C11H23NO.C10H22N2O.C10H22N2S.7C4H10/c1-16(2,3)21-14-18(7)12-20(13-19(18,8)15-21)10-9-11-22-17(4,5)6;1-15(2,3)10-7-11-17-12-8-14(9-13-17)16(4,5)6;1-15(2,3)11-7-8-14-9-12-17(13-10-14)16(4,5)6;1-15(2,3)18-14-6-4-13(5-7-14)12-17-10-8-16-9-11-17;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-14(2,3)13-4-8-16(9-5-13)12-17-10-6-15-7-11-17;1-14(2,3)17-8-4-13(5-9-17)12-16-10-6-15-7-11-16;1-12(2)18(16,17)11-10-14-6-8-15(9-7-14)13(3,4)5;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)12-7-4-10(5-8-12)6-9-13;2*1-10(2,3)12-6-4-11(5-7-12)8-9-13;7*1-4(2)3/h9-15H2,1-8H3;2*14H,7-13H2,1-6H3;13-14,16H,4-12H2,1-3H3;7-13H2,1-6H3;2*13,15H,4-12H2,1-3H3;12H,6-11H2,1-5H3;11H,5-10H2,1-4H3;10,13H,4-9H2,1-3H3;2*13H,4-9H2,1-3H3;7*4H,1-3H3/t18-,19+;;;;;;;;;;;;;;;;;;
InChIKeyMSIXFFAVRQXETI-WDIHPLBHSA-N
MW3203.72 g/mol
LogP41.19
Rot. Bonds32

About (3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine

(3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine (PubChem CID 159657468) has the molecular formula C193H414N22O6S2 and a molecular weight of 3203.72 g/mol. Its IUPAC name is (3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine.

Molecular Properties

Compound Name(3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine
PubChem CID159657468
Molecular FormulaC193H414N22O6S2
Molecular Weight3203.72 g/mol
Exact Mass3201.22
IUPAC Name(3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine
SMILESCC(C)(C)C1CCN(CN2CCNCC2)CC1.CC(C)(C)CCCC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(CCO)CC1.CC(C)(C)N1CCC(CN2CCNCC2)CC1.CC(C)(C)N1CCN(CCO)CC1.CC(C)(C)N1CCN(CCS)CC1.CC(C)(C)OC1CCC(CN2CCNCC2)CC1.CC(C)(C)OCCCN1C[C@@]2(C)CN(C(C)(C)C)C[C@@]2(C)C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)S(=O)(=O)CCN1CCN(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C19H38N2O.2C16H33N.C15H30N2O.C15H32N2.2C14H29N3.C13H28N2O2S.C12H25N.C11H23NO.C10H22N2O.C10H22N2S.7C4H10/c1-16(2,3)21-14-18(7)12-20(13-19(18,8)15-21)10-9-11-22-17(4,5)6;1-15(2,3)10-7-11-17-12-8-14(9-13-17)16(4,5)6;1-15(2,3)11-7-8-14-9-12-17(13-10-14)16(4,5)6;1-15(2,3)18-14-6-4-13(5-7-14)12-17-10-8-16-9-11-17;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-14(2,3)13-4-8-16(9-5-13)12-17-10-6-15-7-11-17;1-14(2,3)17-8-4-13(5-9-17)12-16-10-6-15-7-11-16;1-12(2)18(16,17)11-10-14-6-8-15(9-7-14)13(3,4)5;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)12-7-4-10(5-8-12)6-9-13;2*1-10(2,3)12-6-4-11(5-7-12)8-9-13;7*1-4(2)3/h9-15H2,1-8H3;2*14H,7-13H2,1-6H3;13-14,16H,4-12H2,1-3H3;7-13H2,1-6H3;2*13,15H,4-12H2,1-3H3;12H,6-11H2,1-5H3;11H,5-10H2,1-4H3;10,13H,4-9H2,1-3H3;2*13H,4-9H2,1-3H3;7*4H,1-3H3/t18-,19+;;;;;;;;;;;;;;;;;;
InChIKeyMSIXFFAVRQXETI-WDIHPLBHSA-N
XLogP41.19
TPSA190.71 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds32
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003203.72
LogP ≤ 541.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-propylpiperidine;tris(2-methylpropane)
CID 164988091
(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;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;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-(5,5-dimethylhexyl)-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
CID 159445425
1-[(1-tert-butylazetidin-3-yl)methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]ethyl]piperazine;1-tert-butyl-4-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperazine;1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methylpropane;1-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperazine
CID 167562762
1-tert-butyl-4-[(4-tert-butylpiperazin-1-yl)methyl]piperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;N-tert-butyl-4-(5,5-dimethylhexoxy)aniline;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
CID 161282196
1-tert-butyl-4-[[1-(3,3-dimethylbutyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[1-(4,4-dimethylpentyl)azetidin-3-yl]methyl]piperazine;1-tert-butyl-4-[7-[(2-methylpropan-2-yl)oxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperazine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]piperidine;2-tert-butyl-5-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]oxymethyl]pyrazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;4-tert-butyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperidine;2-tert-butyl-8-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;2-[3-(4-tert-butylpiperazin-1-yl)cyclopentyl]ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)-1,4-diazepane;tris(2-methylpropane);1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]piperazine;1-[[3-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]methyl]piperazine;4-[(2-methylpropan-2-yl)oxymethyl]-1-(piperidin-4-ylmethyl)piperidine;5-[(2-methylpropan-2-yl)oxy]-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyridine
CID 159210877
1-[(1-tert-butylazetidin-3-yl)methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propyl]piperazine;1-tert-butyl-4-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]ethyl]piperazine;1-tert-butyl-4-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperazine;1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methylpropane;1-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperazine
CID 161485584
1-[(1-tert-butylazetidin-3-yl)methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-[(1-tert-butylazetidin-3-yl)methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propyl]piperazine;1-tert-butyl-4-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]ethyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]piperazine;1-tert-butyl-4-[[(3R)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine;2-tert-butyl-5-[(3R)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;2-tert-butyl-5-[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]oxypyrazine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidine;2-tert-butyl-6-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2,7-diazaspiro[3.5]nonane;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methylpropane;1-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperazine
CID 159253089
1-tert-butyl-4-[2-(1-tert-butylpyrrolidin-3-yl)oxyethyl]piperazine;(1R,4R)-2-tert-butyl-5-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-[[4-(3,3-dimethylbutyl)piperidin-1-yl]methyl]piperazine;4-tert-butyl-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]piperidine;1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(3,3-dimethylbutyl)piperazine;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]propyl]piperazine
CID 167569565
1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
CID 155244121
N-tert-butyl-3-[(5-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-N-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;1-tert-butyl-4-(piperazin-1-ylmethyl)piperazine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]piperazine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(3-[4-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);hexakis(2-methylpropane)
CID 157372447
(3R)-1-tert-butyl-3-[(3-tert-butylazetidin-1-yl)methyl]pyrrolidine;1-tert-butyl-4-(3-tert-butylazetidin-1-yl)piperidine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;3-tert-butyl-1-(5,5-dimethylhexyl)azetidine
CID 157457548
6-(tert-butylamino)-2,2-dimethylhexan-3-one;8-(tert-butylamino)-2,2-dimethyloctan-3-one;N-tert-butyl-3,3-dimethylbutan-1-amine;4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine;1-(4-tert-butyl-4-methylpiperidin-1-yl)-4-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;1-(4-tert-butylpiperazin-1-yl)-2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanone;4-(4-tert-butylpiperazin-1-yl)-N-[3-[(2-methylpropan-2-yl)oxy]propyl]butanamide;6-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]-2,2-dimethylhexan-3-one;2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-2-amine
CID 160513189

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine?
The IUPAC name of (3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine (CID 159657468) is (3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine.
What is the SMILES notation for (3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine?
The canonical SMILES for (3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine is CC(C)(C)C1CCN(CN2CCNCC2)CC1.CC(C)(C)CCCC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCN1CCC(C(C)(C)C)CC1.CC(C)(C)CCCN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(CCO)CC1.CC(C)(C)N1CCC(CN2CCNCC2)CC1.CC(C)(C)N1CCN(CCO)CC1.CC(C)(C)N1CCN(CCS)CC1.CC(C)(C)OC1CCC(CN2CCNCC2)CC1.CC(C)(C)OCCCN1C[C@@]2(C)CN(C(C)(C)C)C[C@@]2(C)C1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)S(=O)(=O)CCN1CCN(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1.
What is the InChIKey of (3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine?
The InChIKey is MSIXFFAVRQXETI-WDIHPLBHSA-N. The full InChI is InChI=1S/C19H38N2O.2C16H33N.C15H30N2O.C15H32N2.2C14H29N3.C13H28N2O2S.C12H25N.C11H23NO.C10H22N2O.C10H22N2S.7C4H10/c1-16(2,3)21-14-18(7)12-20(13-19(18,8)15-21)10-9-11-22-17(4,5)6;1-15(2,3)10-7-11-17-12-8-14(9-13-17)16(4,5)6;1-15(2,3)11-7-8-14-9-12-17(13-10-14)16(4,5)6;1-15(2,3)18-14-6-4-13(5-7-14)12-17-10-8-16-9-11-17;1-14(2,3)8-7-9-16-10-12-17(13-11-16)15(4,5)6;1-14(2,3)13-4-8-16(9-5-13)12-17-10-6-15-7-11-17;1-14(2,3)17-8-4-13(5-9-17)12-16-10-6-15-7-11-16;1-12(2)18(16,17)11-10-14-6-8-15(9-7-14)13(3,4)5;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)12-7-4-10(5-8-12)6-9-13;2*1-10(2,3)12-6-4-11(5-7-12)8-9-13;7*1-4(2)3/h9-15H2,1-8H3;2*14H,7-13H2,1-6H3;13-14,16H,4-12H2,1-3H3;7-13H2,1-6H3;2*13,15H,4-12H2,1-3H3;12H,6-11H2,1-5H3;11H,5-10H2,1-4H3;10,13H,4-9H2,1-3H3;2*13H,4-9H2,1-3H3;7*4H,1-3H3/t18-,19+;;;;;;;;;;;;;;;;;;.
What are the key properties of (3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine?
(3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine has a molecular weight of 3203.72 g/mol, XLogP of 41.19, 32 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-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-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;4-tert-butyl-1-(4,4-dimethylpentyl)piperidine;2-(4-tert-butylpiperazin-1-yl)ethanethiol;2-(4-tert-butylpiperazin-1-yl)ethanol;2-(1-tert-butylpiperidin-4-yl)ethanol;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-tert-butyl-4-propylpiperidine;heptakis(2-methylpropane);1-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine is sourced from PubChem (CID 159657468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).