3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine

C172H312N16O21 — CID 158739383

IUPAC3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine
SMILESCC(C)(C)C/C=C/c1ncc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)CCN1CCN(CCOC2CC(OCCC(C)(C)C)C2)CC1.CC(C)OC/C=C/c1ccc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)OC/C=C/c1ncc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)OCCN1CC2CC(C1)N2CCOC(C)C.CC(C)OCCN1CCC2(CC1)CC(OCCC(C)(C)C)C2.CC(C)OCCN1CCN(CCOC2CC(OC(C)C)C2)CC1.CC(C)OCCN1CCN(CCOC2CC(OCCC(C)(C)C)C2)CC1.CC(c1ccc(N2CCN(CCOC(C)(C)C)CC2)cc1)C(C)(C)C
InChIInChI=1S/C22H38N2O.C21H42N2O3.C21H42N2O2.C19H30N2O2.C19H29NO3.C19H37NO2.C18H28N2O3.C18H36N2O3.C15H30N2O2/c1-18(21(2,3)4)19-8-10-20(11-9-19)24-14-12-23(13-15-24)16-17-25-22(5,6)7;1-18(2)24-14-11-22-7-9-23(10-8-22)12-15-26-20-16-19(17-20)25-13-6-21(3,4)5;1-18(2)6-8-22-9-11-23(12-10-22)13-15-25-20-16-19(17-20)24-14-7-21(3,4)5;1-18(2,3)9-7-8-17-20-12-16(13-21-17)22-14-10-15(11-14)23-19(4,5)6;1-14(2)21-10-6-7-15-8-9-16(13-20-15)22-17-11-18(12-17)23-19(3,4)5;1-16(2)21-13-11-20-9-6-19(7-10-20)14-17(15-19)22-12-8-18(3,4)5;1-13(2)21-8-6-7-17-19-11-16(12-20-17)22-14-9-15(10-14)23-18(3,4)5;1-15(2)21-11-9-19-5-7-20(8-6-19)10-12-22-17-13-18(14-17)23-16(3)4;1-12(2)18-7-5-16-10-14-9-15(11-16)17(14)6-8-19-13(3)4/h8-11,18H,12-17H2,1-7H3;18-20H,6-17H2,1-5H3;18-20H,6-17H2,1-5H3;7-8,12-15H,9-11H2,1-6H3;6-9,13-14,17-18H,10-12H2,1-5H3;16-17H,6-15H2,1-5H3;6-7,11-15H,8-10H2,1-5H3;15-18H,5-14H2,1-4H3;12-15H,5-11H2,1-4H3/b;;;8-7+;7-6+;;7-6+;;
InChIKeyIMCBWJGAZRICMO-UJIUIWJQSA-N
MW2940.48 g/mol
LogP31.69
Rot. Bonds70

About 3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine

3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine (PubChem CID 158739383) has the molecular formula C172H312N16O21 and a molecular weight of 2940.48 g/mol. Its IUPAC name is 3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine.

Molecular Properties

Compound Name3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine
PubChem CID158739383
Molecular FormulaC172H312N16O21
Molecular Weight2940.48 g/mol
Exact Mass2938.38
IUPAC Name3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine
SMILESCC(C)(C)C/C=C/c1ncc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)CCN1CCN(CCOC2CC(OCCC(C)(C)C)C2)CC1.CC(C)OC/C=C/c1ccc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)OC/C=C/c1ncc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)OCCN1CC2CC(C1)N2CCOC(C)C.CC(C)OCCN1CCC2(CC1)CC(OCCC(C)(C)C)C2.CC(C)OCCN1CCN(CCOC2CC(OC(C)C)C2)CC1.CC(C)OCCN1CCN(CCOC2CC(OCCC(C)(C)C)C2)CC1.CC(c1ccc(N2CCN(CCOC(C)(C)C)CC2)cc1)C(C)(C)C
InChIInChI=1S/C22H38N2O.C21H42N2O3.C21H42N2O2.C19H30N2O2.C19H29NO3.C19H37NO2.C18H28N2O3.C18H36N2O3.C15H30N2O2/c1-18(21(2,3)4)19-8-10-20(11-9-19)24-14-12-23(13-15-24)16-17-25-22(5,6)7;1-18(2)24-14-11-22-7-9-23(10-8-22)12-15-26-20-16-19(17-20)25-13-6-21(3,4)5;1-18(2)6-8-22-9-11-23(12-10-22)13-15-25-20-16-19(17-20)24-14-7-21(3,4)5;1-18(2,3)9-7-8-17-20-12-16(13-21-17)22-14-10-15(11-14)23-19(4,5)6;1-14(2)21-10-6-7-15-8-9-16(13-20-15)22-17-11-18(12-17)23-19(3,4)5;1-16(2)21-13-11-20-9-6-19(7-10-20)14-17(15-19)22-12-8-18(3,4)5;1-13(2)21-8-6-7-17-19-11-16(12-20-17)22-14-9-15(10-14)23-18(3,4)5;1-15(2)21-11-9-19-5-7-20(8-6-19)10-12-22-17-13-18(14-17)23-16(3)4;1-12(2)18-7-5-16-10-14-9-15(11-16)17(14)6-8-19-13(3)4/h8-11,18H,12-17H2,1-7H3;18-20H,6-17H2,1-5H3;18-20H,6-17H2,1-5H3;7-8,12-15H,9-11H2,1-6H3;6-9,13-14,17-18H,10-12H2,1-5H3;16-17H,6-15H2,1-5H3;6-7,11-15H,8-10H2,1-5H3;15-18H,5-14H2,1-4H3;12-15H,5-11H2,1-4H3/b;;;8-7+;7-6+;;7-6+;;
InChIKeyIMCBWJGAZRICMO-UJIUIWJQSA-N
XLogP31.69
TPSA293.92 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds70
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002940.48
LogP ≤ 531.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine with MolForge

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Related Compounds

3,6-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)cyclohexyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[[4-(3,3-dimethylbutan-2-yl)phenyl]methyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-(6-methylhept-1-ynyl)-5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]pyridine;2-[(E)-4-methylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]pyridine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]pyrimidine;5-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-2-(4-propan-2-yloxybut-1-ynyl)pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine
CID 167605421
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane
CID 146339853
3-(3,3-dimethylbutyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,6-diazabicyclo[3.1.1]heptane
CID 139545749
(1R,4R)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;(1S,4S)-2-(3,3-dimethylbutyl)-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;8-(3,3-dimethylbutyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,8-diazabicyclo[3.2.1]octane;(2R)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2S)-1-(3,3-dimethylbutyl)-2-methyl-4-(2-propan-2-yloxyethyl)piperazine;(2R)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;(2S)-4-(3,3-dimethylbutyl)-2-methyl-1-(2-propan-2-yloxyethyl)piperazine;3-(3,3-dimethylbutyl)-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-(4,4-dimethylpentyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane
CID 157308957
1-(6,6-dimethylhept-3-ynyl)-4-(2-propan-2-yloxyethyl)piperazine;N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-1-en-2-amine;1-(4,4-dimethylpent-2-ynyl)-4-(2-propan-2-yloxyethyl)piperazine;(2R)-2-methyl-1,4-bis(2-propan-2-yloxyethyl)piperazine;(2S)-2-methyl-1,4-bis(2-propan-2-yloxyethyl)piperazine;5-(3-methylbutan-2-yl)-1-(2-propan-2-yloxyethyl)pyridin-2-one;1-[2-(3-methylbutoxy)ethyl]-4-(2-propan-2-yloxyethyl)piperazine;1-(3-methylbutyl)-4-(5-methylhex-2-ynyl)piperazine;1-[3-(3-methylbut-1-ynyl)cyclobutyl]oxy-4-(2-propan-2-yloxyethyl)piperazine;1-(5-methylhexyl)-4-(2-propan-2-yloxyethyl)piperazine;1-(5-methylhex-2-ynyl)-4-(2-propan-2-yloxyethyl)piperazine;4-[3-(4-methylpent-1-ynyl)cyclobutyl]oxy-1-(2-propan-2-yloxyethyl)piperidine;1-[4-[(2-methylpropan-2-yl)oxy]but-2-ynyl]-3-[(2-methylpropan-2-yl)oxymethyl]azetidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-(3-propan-2-yloxypropyl)pyridine;(1R,4R)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(2-propan-2-yloxyethyl)-2,5-diazabicyclo[2.2.1]heptane;3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-(2-propan-2-yloxyethyl)-3,8-diazabicyclo[3.2.1]octane;1-[(2-methylpropan-2-yl)oxy]-3-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]cyclobutane;1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-(3-propan-2-yloxypropyl)piperazine;1-[(3-propan-2-yloxycyclobutyl)methyl]-4-(3-propan-2-yloxycyclobutyl)oxypiperidine
CID 161191031
1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]ethoxy]propyl]piperidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine
CID 167558982
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488979
5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine
CID 138657106
[4-[4-(3,3-dimethylbutan-2-yl)phenyl]piperazin-1-yl]methanamine
CID 168901165
2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine
CID 168785842
2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine
CID 134488920

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine?
The IUPAC name of 3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine (CID 158739383) is 3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine.
What is the SMILES notation for 3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine?
The canonical SMILES for 3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine is CC(C)(C)C/C=C/c1ncc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)CCN1CCN(CCOC2CC(OCCC(C)(C)C)C2)CC1.CC(C)OC/C=C/c1ccc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)OC/C=C/c1ncc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)OCCN1CC2CC(C1)N2CCOC(C)C.CC(C)OCCN1CCC2(CC1)CC(OCCC(C)(C)C)C2.CC(C)OCCN1CCN(CCOC2CC(OC(C)C)C2)CC1.CC(C)OCCN1CCN(CCOC2CC(OCCC(C)(C)C)C2)CC1.CC(c1ccc(N2CCN(CCOC(C)(C)C)CC2)cc1)C(C)(C)C.
What is the InChIKey of 3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine?
The InChIKey is IMCBWJGAZRICMO-UJIUIWJQSA-N. The full InChI is InChI=1S/C22H38N2O.C21H42N2O3.C21H42N2O2.C19H30N2O2.C19H29NO3.C19H37NO2.C18H28N2O3.C18H36N2O3.C15H30N2O2/c1-18(21(2,3)4)19-8-10-20(11-9-19)24-14-12-23(13-15-24)16-17-25-22(5,6)7;1-18(2)24-14-11-22-7-9-23(10-8-22)12-15-26-20-16-19(17-20)25-13-6-21(3,4)5;1-18(2)6-8-22-9-11-23(12-10-22)13-15-25-20-16-19(17-20)24-14-7-21(3,4)5;1-18(2,3)9-7-8-17-20-12-16(13-21-17)22-14-10-15(11-14)23-19(4,5)6;1-14(2)21-10-6-7-15-8-9-16(13-20-15)22-17-11-18(12-17)23-19(3,4)5;1-16(2)21-13-11-20-9-6-19(7-10-20)14-17(15-19)22-12-8-18(3,4)5;1-13(2)21-8-6-7-17-19-11-16(12-20-17)22-14-9-15(10-14)23-18(3,4)5;1-15(2)21-11-9-19-5-7-20(8-6-19)10-12-22-17-13-18(14-17)23-16(3)4;1-12(2)18-7-5-16-10-14-9-15(11-16)17(14)6-8-19-13(3)4/h8-11,18H,12-17H2,1-7H3;18-20H,6-17H2,1-5H3;18-20H,6-17H2,1-5H3;7-8,12-15H,9-11H2,1-6H3;6-9,13-14,17-18H,10-12H2,1-5H3;16-17H,6-15H2,1-5H3;6-7,11-15H,8-10H2,1-5H3;15-18H,5-14H2,1-4H3;12-15H,5-11H2,1-4H3/b;;;8-7+;7-6+;;7-6+;;.
What are the key properties of 3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine?
3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine has a molecular weight of 2940.48 g/mol, XLogP of 31.69, 70 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2-propan-2-yloxyethyl)-3,6-diazabicyclo[3.1.1]heptane;1-[4-(3,3-dimethylbutan-2-yl)phenyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(3-methylbutyl)piperazine;1-[2-[3-(3,3-dimethylbutoxy)cyclobutyl]oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine;2-(3,3-dimethylbutoxy)-7-(2-propan-2-yloxyethyl)-7-azaspiro[3.5]nonane;2-[(E)-4,4-dimethylpent-1-enyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrimidine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[(E)-3-propan-2-yloxyprop-1-enyl]pyrimidine;1-[2-(3-propan-2-yloxycyclobutyl)oxyethyl]-4-(2-propan-2-yloxyethyl)piperazine is sourced from PubChem (CID 158739383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).