1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one

C247H487N25O27 — CID 158920778

IUPAC1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one
SMILESCC(C)(C)CC1CCCN(CCOC(C)(C)C)C1.CC(C)(C)CN1CCCN(CCOC(C)(C)C)C1.CC(C)(C)CNCCCN1CCC(OC2CC(CC(=O)CN3CCN(CCOC(C)(C)C)CC3)C2)CC1.CC(C)(C)COCCCN1CCC(OC2CC(CC(=O)CN3CCN(CCOC(C)(C)C)CC3)C2)CC1.CC(C)(C)COCCOCCCN1CCN(CCCN2CCN(CCCOC(C)(C)C)CC2)CC1.CC(C)(C)NCCCN1CCC(OC2CC(CC(=O)CN3CCN(CCOC(C)(C)C)CC3)C2)CC1.CC(C)(C)OCCC1CCCN(CCOC(C)(C)C)C1.CC(C)(C)OCCCCCOc1cc(C(C)(C)C)ccc1N.CC(C)(C)OCCCN1CCC(OC2CC(CC(=O)CN3CCN(CCOC(C)(C)C)CC3)C2)CC1.CC(C)(C)OCC[C@@H]1CCCN(CCOC(C)(C)C)C1.CC(C)(C)OCC[C@H]1CCCN(CCOC(C)(C)C)C1
InChIInChI=1S/C30H58N4O3.C30H57N3O4.C29H56N4O3.C29H55N3O4.C28H58N4O3.C19H33NO2.3C17H35NO2.C16H33NO.C15H32N2O/c1-29(2,3)24-31-10-7-11-32-12-8-27(9-13-32)37-28-21-25(22-28)20-26(35)23-34-16-14-33(15-17-34)18-19-36-30(4,5)6;1-29(2,3)24-35-18-7-10-31-11-8-27(9-12-31)37-28-21-25(22-28)20-26(34)23-33-15-13-32(14-16-33)17-19-36-30(4,5)6;1-28(2,3)30-10-7-11-31-12-8-26(9-13-31)36-27-21-24(22-27)20-25(34)23-33-16-14-32(15-17-33)18-19-35-29(4,5)6;1-28(2,3)34-18-7-10-30-11-8-26(9-12-30)36-27-21-24(22-27)20-25(33)23-32-15-13-31(14-16-32)17-19-35-29(4,5)6;1-27(2,3)26-34-25-24-33-22-8-12-31-18-14-29(15-19-31)10-7-11-30-16-20-32(21-17-30)13-9-23-35-28(4,5)6;1-18(2,3)15-10-11-16(20)17(14-15)21-12-8-7-9-13-22-19(4,5)6;3*1-16(2,3)19-12-9-15-8-7-10-18(14-15)11-13-20-17(4,5)6;1-15(2,3)12-14-8-7-9-17(13-14)10-11-18-16(4,5)6;1-14(2,3)12-17-9-7-8-16(13-17)10-11-18-15(4,5)6/h25,27-28,31H,7-24H2,1-6H3;25,27-28H,7-24H2,1-6H3;24,26-27,30H,7-23H2,1-6H3;24,26-27H,7-23H2,1-6H3;7-26H2,1-6H3;10-11,14H,7-9,12-13,20H2,1-6H3;3*15H,7-14H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3/t;;;;;;2*15-;;;/m......10.../s1
InChIKeyJHUOAKZXRAAACY-MTBYRMBDSA-N
MW4239.76 g/mol
LogP41.15
Rot. Bonds103

About 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one

1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one (PubChem CID 158920778) has the molecular formula C247H487N25O27 and a molecular weight of 4239.76 g/mol. Its IUPAC name is 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one.

Molecular Properties

Compound Name1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one
PubChem CID158920778
Molecular FormulaC247H487N25O27
Molecular Weight4239.76 g/mol
Exact Mass4236.75
IUPAC Name1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one
SMILESCC(C)(C)CC1CCCN(CCOC(C)(C)C)C1.CC(C)(C)CN1CCCN(CCOC(C)(C)C)C1.CC(C)(C)CNCCCN1CCC(OC2CC(CC(=O)CN3CCN(CCOC(C)(C)C)CC3)C2)CC1.CC(C)(C)COCCCN1CCC(OC2CC(CC(=O)CN3CCN(CCOC(C)(C)C)CC3)C2)CC1.CC(C)(C)COCCOCCCN1CCN(CCCN2CCN(CCCOC(C)(C)C)CC2)CC1.CC(C)(C)NCCCN1CCC(OC2CC(CC(=O)CN3CCN(CCOC(C)(C)C)CC3)C2)CC1.CC(C)(C)OCCC1CCCN(CCOC(C)(C)C)C1.CC(C)(C)OCCCCCOc1cc(C(C)(C)C)ccc1N.CC(C)(C)OCCCN1CCC(OC2CC(CC(=O)CN3CCN(CCOC(C)(C)C)CC3)C2)CC1.CC(C)(C)OCC[C@@H]1CCCN(CCOC(C)(C)C)C1.CC(C)(C)OCC[C@H]1CCCN(CCOC(C)(C)C)C1
InChIInChI=1S/C30H58N4O3.C30H57N3O4.C29H56N4O3.C29H55N3O4.C28H58N4O3.C19H33NO2.3C17H35NO2.C16H33NO.C15H32N2O/c1-29(2,3)24-31-10-7-11-32-12-8-27(9-13-32)37-28-21-25(22-28)20-26(35)23-34-16-14-33(15-17-34)18-19-36-30(4,5)6;1-29(2,3)24-35-18-7-10-31-11-8-27(9-12-31)37-28-21-25(22-28)20-26(34)23-33-15-13-32(14-16-33)17-19-36-30(4,5)6;1-28(2,3)30-10-7-11-31-12-8-26(9-13-31)36-27-21-24(22-27)20-25(34)23-33-16-14-32(15-17-33)18-19-35-29(4,5)6;1-28(2,3)34-18-7-10-30-11-8-26(9-12-30)36-27-21-24(22-27)20-25(33)23-32-15-13-31(14-16-32)17-19-35-29(4,5)6;1-27(2,3)26-34-25-24-33-22-8-12-31-18-14-29(15-19-31)10-7-11-30-16-20-32(21-17-30)13-9-23-35-28(4,5)6;1-18(2,3)15-10-11-16(20)17(14-15)21-12-8-7-9-13-22-19(4,5)6;3*1-16(2,3)19-12-9-15-8-7-10-18(14-15)11-13-20-17(4,5)6;1-15(2,3)12-14-8-7-9-17(13-14)10-11-18-16(4,5)6;1-14(2,3)12-17-9-7-8-16(13-17)10-11-18-15(4,5)6/h25,27-28,31H,7-24H2,1-6H3;25,27-28H,7-24H2,1-6H3;24,26-27,30H,7-23H2,1-6H3;24,26-27H,7-23H2,1-6H3;7-26H2,1-6H3;10-11,14H,7-9,12-13,20H2,1-6H3;3*15H,7-14H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3/t;;;;;;2*15-;;;/m......10.../s1
InChIKeyJHUOAKZXRAAACY-MTBYRMBDSA-N
XLogP41.15
TPSA401.93 Ų
H-Bond Donors3
H-Bond Acceptors52
Rotatable Bonds103
Heavy Atoms299
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004239.76
LogP ≤ 541.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

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

Analyze 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one?
The IUPAC name of 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one (CID 158920778) is 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one.
What is the SMILES notation for 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one?
The canonical SMILES for 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one is CC(C)(C)CC1CCCN(CCOC(C)(C)C)C1.CC(C)(C)CN1CCCN(CCOC(C)(C)C)C1.CC(C)(C)CNCCCN1CCC(OC2CC(CC(=O)CN3CCN(CCOC(C)(C)C)CC3)C2)CC1.CC(C)(C)COCCCN1CCC(OC2CC(CC(=O)CN3CCN(CCOC(C)(C)C)CC3)C2)CC1.CC(C)(C)COCCOCCCN1CCN(CCCN2CCN(CCCOC(C)(C)C)CC2)CC1.CC(C)(C)NCCCN1CCC(OC2CC(CC(=O)CN3CCN(CCOC(C)(C)C)CC3)C2)CC1.CC(C)(C)OCCC1CCCN(CCOC(C)(C)C)C1.CC(C)(C)OCCCCCOc1cc(C(C)(C)C)ccc1N.CC(C)(C)OCCCN1CCC(OC2CC(CC(=O)CN3CCN(CCOC(C)(C)C)CC3)C2)CC1.CC(C)(C)OCC[C@@H]1CCCN(CCOC(C)(C)C)C1.CC(C)(C)OCC[C@H]1CCCN(CCOC(C)(C)C)C1.
What is the InChIKey of 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one?
The InChIKey is JHUOAKZXRAAACY-MTBYRMBDSA-N. The full InChI is InChI=1S/C30H58N4O3.C30H57N3O4.C29H56N4O3.C29H55N3O4.C28H58N4O3.C19H33NO2.3C17H35NO2.C16H33NO.C15H32N2O/c1-29(2,3)24-31-10-7-11-32-12-8-27(9-13-32)37-28-21-25(22-28)20-26(35)23-34-16-14-33(15-17-34)18-19-36-30(4,5)6;1-29(2,3)24-35-18-7-10-31-11-8-27(9-12-31)37-28-21-25(22-28)20-26(34)23-33-15-13-32(14-16-33)17-19-36-30(4,5)6;1-28(2,3)30-10-7-11-31-12-8-26(9-13-31)36-27-21-24(22-27)20-25(34)23-33-16-14-32(15-17-33)18-19-35-29(4,5)6;1-28(2,3)34-18-7-10-30-11-8-26(9-12-30)36-27-21-24(22-27)20-25(33)23-32-15-13-31(14-16-32)17-19-35-29(4,5)6;1-27(2,3)26-34-25-24-33-22-8-12-31-18-14-29(15-19-31)10-7-11-30-16-20-32(21-17-30)13-9-23-35-28(4,5)6;1-18(2,3)15-10-11-16(20)17(14-15)21-12-8-7-9-13-22-19(4,5)6;3*1-16(2,3)19-12-9-15-8-7-10-18(14-15)11-13-20-17(4,5)6;1-15(2,3)12-14-8-7-9-17(13-14)10-11-18-16(4,5)6;1-14(2,3)12-17-9-7-8-16(13-17)10-11-18-15(4,5)6/h25,27-28,31H,7-24H2,1-6H3;25,27-28H,7-24H2,1-6H3;24,26-27,30H,7-23H2,1-6H3;24,26-27H,7-23H2,1-6H3;7-26H2,1-6H3;10-11,14H,7-9,12-13,20H2,1-6H3;3*15H,7-14H2,1-6H3;14H,7-13H2,1-6H3;7-13H2,1-6H3/t;;;;;;2*15-;;;/m......10.../s1.
What are the key properties of 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one?
1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one has a molecular weight of 4239.76 g/mol, XLogP of 41.15, 103 rotatable bonds, 3 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3R)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;(3S)-1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[3-[1-[3-(tert-butylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;4-tert-butyl-2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]aniline;1-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-4-[3-[4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propyl]piperazine;1-[3-[1-[3-(2,2-dimethylpropoxy)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-[3-[1-[3-(2,2-dimethylpropylamino)propyl]piperidin-4-yl]oxycyclobutyl]-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-2-one;1-(2,2-dimethylpropyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-diazinane;3-(2,2-dimethylpropyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]-3-[3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]oxycyclobutyl]propan-2-one is sourced from PubChem (CID 158920778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).