1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine

C180H365N23O24 — CID 157114665

IUPAC1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
SMILESCC(C)(C)CCOCCOCCOCCOCCOC(C)(C)C.CC(C)(C)OC1CC(OCCCCCCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCCCN1CCN(CCOC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCCCCCOCCCCCC1CCN(C(C)(C)C)CC1.COCCN1CCN(CCOCCN2C[C@@H]3C[C@H]2CN3CCOC(C)(C)C)CC1.COCCN1CCN(CCOCCN2C[C@@H]3C[C@H]2CN3CCOCC(C)(C)C)CC1.COCCN1CCN(CCOCCN2C[C@@H]3C[C@H]2CN3CCOCCNC(C)(C)C)CC1.COCCN1CCN(CCOCCN2C[C@@H]3C[C@H]2CN3CCOCCNCC(C)(C)C)CC1
InChIInChI=1S/C25H51N5O3.C24H49N5O3.C23H46N4O3.C23H46N2O3.C23H47NO2.C22H44N4O3.C22H44N2O2.C18H38O5/c1-25(2,3)22-26-5-14-32-17-12-29-20-24-19-23(29)21-30(24)13-18-33-16-11-28-8-6-27(7-9-28)10-15-31-4;1-24(2,3)25-5-14-31-17-12-28-20-23-19-22(28)21-29(23)13-18-32-16-11-27-8-6-26(7-9-27)10-15-30-4;1-23(2,3)20-30-16-12-27-19-21-17-22(27)18-26(21)11-15-29-14-10-25-7-5-24(6-8-25)9-13-28-4;1-22(2,3)27-16-9-7-8-10-24-11-13-25(14-12-24)15-17-26-20-18-21(19-20)28-23(4,5)6;1-22(2,3)24-16-14-21(15-17-24)13-9-7-10-18-25-19-11-8-12-20-26-23(4,5)6;1-22(2,3)29-16-12-26-19-20-17-21(26)18-25(20)11-15-28-14-10-24-7-5-23(6-8-24)9-13-27-4;1-21(2,3)24-14-12-23(13-15-24)11-9-7-8-10-16-25-19-17-20(18-19)26-22(4,5)6;1-17(2,3)7-8-19-9-10-20-11-12-21-13-14-22-15-16-23-18(4,5)6/h23-24,26H,5-22H2,1-4H3;22-23,25H,5-21H2,1-4H3;21-22H,5-20H2,1-4H3;20-21H,7-19H2,1-6H3;21H,7-20H2,1-6H3;20-21H,5-19H2,1-4H3;19-20H,7-18H2,1-6H3;7-16H2,1-6H3/t23-,24-;22-,23-;21-,22-;;;20-,21-;;/m000..0../s1
InChIKeyAHGGHISPBBOGNE-MXVKIQEHSA-N
MW3236.04 g/mol
LogP20.68
Rot. Bonds102

About 1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine

1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine (PubChem CID 157114665) has the molecular formula C180H365N23O24 and a molecular weight of 3236.04 g/mol. Its IUPAC name is 1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
PubChem CID157114665
Molecular FormulaC180H365N23O24
Molecular Weight3236.04 g/mol
Exact Mass3233.80
IUPAC Name1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
SMILESCC(C)(C)CCOCCOCCOCCOCCOC(C)(C)C.CC(C)(C)OC1CC(OCCCCCCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCCCN1CCN(CCOC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCCCCCOCCCCCC1CCN(C(C)(C)C)CC1.COCCN1CCN(CCOCCN2C[C@@H]3C[C@H]2CN3CCOC(C)(C)C)CC1.COCCN1CCN(CCOCCN2C[C@@H]3C[C@H]2CN3CCOCC(C)(C)C)CC1.COCCN1CCN(CCOCCN2C[C@@H]3C[C@H]2CN3CCOCCNC(C)(C)C)CC1.COCCN1CCN(CCOCCN2C[C@@H]3C[C@H]2CN3CCOCCNCC(C)(C)C)CC1
InChIInChI=1S/C25H51N5O3.C24H49N5O3.C23H46N4O3.C23H46N2O3.C23H47NO2.C22H44N4O3.C22H44N2O2.C18H38O5/c1-25(2,3)22-26-5-14-32-17-12-29-20-24-19-23(29)21-30(24)13-18-33-16-11-28-8-6-27(7-9-28)10-15-31-4;1-24(2,3)25-5-14-31-17-12-28-20-23-19-22(28)21-29(23)13-18-32-16-11-27-8-6-26(7-9-27)10-15-30-4;1-23(2,3)20-30-16-12-27-19-21-17-22(27)18-26(21)11-15-29-14-10-25-7-5-24(6-8-25)9-13-28-4;1-22(2,3)27-16-9-7-8-10-24-11-13-25(14-12-24)15-17-26-20-18-21(19-20)28-23(4,5)6;1-22(2,3)24-16-14-21(15-17-24)13-9-7-10-18-25-19-11-8-12-20-26-23(4,5)6;1-22(2,3)29-16-12-26-19-20-17-21(26)18-25(20)11-15-28-14-10-24-7-5-23(6-8-24)9-13-27-4;1-21(2,3)24-14-12-23(13-15-24)11-9-7-8-10-16-25-19-17-20(18-19)26-22(4,5)6;1-17(2,3)7-8-19-9-10-20-11-12-21-13-14-22-15-16-23-18(4,5)6/h23-24,26H,5-22H2,1-4H3;22-23,25H,5-21H2,1-4H3;21-22H,5-20H2,1-4H3;20-21H,7-19H2,1-6H3;21H,7-20H2,1-6H3;20-21H,5-19H2,1-4H3;19-20H,7-18H2,1-6H3;7-16H2,1-6H3/t23-,24-;22-,23-;21-,22-;;;20-,21-;;/m000..0../s1
InChIKeyAHGGHISPBBOGNE-MXVKIQEHSA-N
XLogP20.68
TPSA313.62 Ų
H-Bond Donors2
H-Bond Acceptors47
Rotatable Bonds102
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003236.04
LogP ≤ 520.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine with MolForge

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Related Compounds

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;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]cyclobutane;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine
CID 157488983
CID 157442879
CID 157442879
CID 157563364
CID 157563364
CID 157901424
CID 157901424
CID 157967213
CID 157967213
CID 158092533
CID 158092533
CID 158248866
CID 158248866
CID 158662627
CID 158662627
CID 159009420
CID 159009420
CID 159318072
CID 159318072
CID 159590584
CID 159590584
CID 159632963
CID 159632963

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine (CID 157114665) is 1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine is CC(C)(C)CCOCCOCCOCCOCCOC(C)(C)C.CC(C)(C)OC1CC(OCCCCCCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCCCN1CCN(CCOC2CC(OC(C)(C)C)C2)CC1.CC(C)(C)OCCCCCOCCCCCC1CCN(C(C)(C)C)CC1.COCCN1CCN(CCOCCN2C[C@@H]3C[C@H]2CN3CCOC(C)(C)C)CC1.COCCN1CCN(CCOCCN2C[C@@H]3C[C@H]2CN3CCOCC(C)(C)C)CC1.COCCN1CCN(CCOCCN2C[C@@H]3C[C@H]2CN3CCOCCNC(C)(C)C)CC1.COCCN1CCN(CCOCCN2C[C@@H]3C[C@H]2CN3CCOCCNCC(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine?
The InChIKey is AHGGHISPBBOGNE-MXVKIQEHSA-N. The full InChI is InChI=1S/C25H51N5O3.C24H49N5O3.C23H46N4O3.C23H46N2O3.C23H47NO2.C22H44N4O3.C22H44N2O2.C18H38O5/c1-25(2,3)22-26-5-14-32-17-12-29-20-24-19-23(29)21-30(24)13-18-33-16-11-28-8-6-27(7-9-28)10-15-31-4;1-24(2,3)25-5-14-31-17-12-28-20-23-19-22(28)21-29(23)13-18-32-16-11-27-8-6-26(7-9-27)10-15-30-4;1-23(2,3)20-30-16-12-27-19-21-17-22(27)18-26(21)11-15-29-14-10-25-7-5-24(6-8-25)9-13-28-4;1-22(2,3)27-16-9-7-8-10-24-11-13-25(14-12-24)15-17-26-20-18-21(19-20)28-23(4,5)6;1-22(2,3)24-16-14-21(15-17-24)13-9-7-10-18-25-19-11-8-12-20-26-23(4,5)6;1-22(2,3)29-16-12-26-19-20-17-21(26)18-25(20)11-15-28-14-10-24-7-5-23(6-8-24)9-13-27-4;1-21(2,3)24-14-12-23(13-15-24)11-9-7-8-10-16-25-19-17-20(18-19)26-22(4,5)6;1-17(2,3)7-8-19-9-10-20-11-12-21-13-14-22-15-16-23-18(4,5)6/h23-24,26H,5-22H2,1-4H3;22-23,25H,5-21H2,1-4H3;21-22H,5-20H2,1-4H3;20-21H,7-19H2,1-6H3;21H,7-20H2,1-6H3;20-21H,5-19H2,1-4H3;19-20H,7-18H2,1-6H3;7-16H2,1-6H3/t23-,24-;22-,23-;21-,22-;;;20-,21-;;/m000..0../s1.
What are the key properties of 1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine?
1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine has a molecular weight of 3236.04 g/mol, XLogP of 20.68, 102 rotatable bonds, 2 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;(1S,4S)-2-[2-(2,2-dimethylpropoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2,2-dimethylpropan-1-amine;N-[2-[2-[(1S,4S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-2-amine;(1S,4S)-2-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-5-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine is sourced from PubChem (CID 157114665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).