2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine

C229H435N35O6 — CID 158408790

IUPAC2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CN1CCC(C(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CN1CCC(N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)COC[C@@H](O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)COC[C@H](O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)COc1ccnc(N2CCN(C(C)(C)C)CC2)n1.C[C@@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.C[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)CCN1CC(C)(C)C.C[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)[C@@H](C)CN1CC(C)(C)C.C[C@@H]1CN(CC(C)(C)C)CCC1N1CC2(C1)CN(C(C)(C)C)C2.C[C@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.C[C@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)CCN1CC(C)(C)C.C[C@H]1CN(CC(C)(C)C)CCC1N1CC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C21H41N3.2C21H33N3.4C20H39N3.C19H37N3O.C18H37N3.C17H30N4O.2C16H34N2O2/c1-16-10-22(11-19(3,4)5)17(2)9-18(16)23-12-21(13-23)14-24(15-21)20(6,7)8;2*1-16(13-23-21(5,6)7)24-14-19(22-15-24)18-10-8-17(9-11-18)12-20(2,3)4;2*1-16-10-21(11-18(2,3)4)9-8-17(16)22-12-20(13-22)14-23(15-20)19(5,6)7;2*1-16-10-17(8-9-21(16)11-18(2,3)4)22-12-20(13-22)14-23(15-20)19(5,6)7;1-18(2,3)15-20-9-7-16(8-10-20)17(23)21-11-13-22(14-12-21)19(4,5)6;1-17(2,3)15-19-9-7-16(8-10-19)20-11-13-21(14-12-20)18(4,5)6;1-16(2,3)13-22-14-7-8-18-15(19-14)20-9-11-21(12-10-20)17(4,5)6;2*1-15(2,3)13-20-12-14(19)11-17-7-9-18(10-8-17)16(4,5)6/h16-18H,9-15H2,1-8H3;2*8-11,14-16,23H,12-13H2,1-7H3;4*16-17H,8-15H2,1-7H3;16H,7-15H2,1-6H3;16H,7-15H2,1-6H3;7-8H,9-13H2,1-6H3;2*14,19H,7-13H2,1-6H3/t16-,17+,18?;2*16-;4*16-,17?;;;;2*14-/m0101010...10/s1
InChIKeyGZAPQIZTJVXWBO-YSLZNZKESA-N
MW3775.24 g/mol
LogP38.72
Rot. Bonds37

About 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine

2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine (PubChem CID 158408790) has the molecular formula C229H435N35O6 and a molecular weight of 3775.24 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine
PubChem CID158408790
Molecular FormulaC229H435N35O6
Molecular Weight3775.24 g/mol
Exact Mass3772.48
IUPAC Name2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CN1CCC(C(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CN1CCC(N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)COC[C@@H](O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)COC[C@H](O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)COc1ccnc(N2CCN(C(C)(C)C)CC2)n1.C[C@@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.C[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)CCN1CC(C)(C)C.C[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)[C@@H](C)CN1CC(C)(C)C.C[C@@H]1CN(CC(C)(C)C)CCC1N1CC2(C1)CN(C(C)(C)C)C2.C[C@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.C[C@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)CCN1CC(C)(C)C.C[C@H]1CN(CC(C)(C)C)CCC1N1CC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C21H41N3.2C21H33N3.4C20H39N3.C19H37N3O.C18H37N3.C17H30N4O.2C16H34N2O2/c1-16-10-22(11-19(3,4)5)17(2)9-18(16)23-12-21(13-23)14-24(15-21)20(6,7)8;2*1-16(13-23-21(5,6)7)24-14-19(22-15-24)18-10-8-17(9-11-18)12-20(2,3)4;2*1-16-10-21(11-18(2,3)4)9-8-17(16)22-12-20(13-22)14-23(15-20)19(5,6)7;2*1-16-10-17(8-9-21(16)11-18(2,3)4)22-12-20(13-22)14-23(15-20)19(5,6)7;1-18(2,3)15-20-9-7-16(8-10-20)17(23)21-11-13-22(14-12-21)19(4,5)6;1-17(2,3)15-19-9-7-16(8-10-19)20-11-13-21(14-12-20)18(4,5)6;1-16(2,3)13-22-14-7-8-18-15(19-14)20-9-11-21(12-10-20)17(4,5)6;2*1-15(2,3)13-20-12-14(19)11-17-7-9-18(10-8-17)16(4,5)6/h16-18H,9-15H2,1-8H3;2*8-11,14-16,23H,12-13H2,1-7H3;4*16-17H,8-15H2,1-7H3;16H,7-15H2,1-6H3;16H,7-15H2,1-6H3;7-8H,9-13H2,1-6H3;2*14,19H,7-13H2,1-6H3/t16-,17+,18?;2*16-;4*16-,17?;;;;2*14-/m0101010...10/s1
InChIKeyGZAPQIZTJVXWBO-YSLZNZKESA-N
XLogP38.72
TPSA258.18 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds37
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003775.24
LogP ≤ 538.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Analyze 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine?
The IUPAC name of 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine (CID 158408790) is 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine is CC(C)(C)CN1CCC(C(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CN1CCC(N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)COC[C@@H](O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)COC[C@H](O)CN1CCN(C(C)(C)C)CC1.CC(C)(C)COc1ccnc(N2CCN(C(C)(C)C)CC2)n1.C[C@@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.C[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)CCN1CC(C)(C)C.C[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)[C@@H](C)CN1CC(C)(C)C.C[C@@H]1CN(CC(C)(C)C)CCC1N1CC2(C1)CN(C(C)(C)C)C2.C[C@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.C[C@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)CCN1CC(C)(C)C.C[C@H]1CN(CC(C)(C)C)CCC1N1CC2(C1)CN(C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine?
The InChIKey is GZAPQIZTJVXWBO-YSLZNZKESA-N. The full InChI is InChI=1S/C21H41N3.2C21H33N3.4C20H39N3.C19H37N3O.C18H37N3.C17H30N4O.2C16H34N2O2/c1-16-10-22(11-19(3,4)5)17(2)9-18(16)23-12-21(13-23)14-24(15-21)20(6,7)8;2*1-16(13-23-21(5,6)7)24-14-19(22-15-24)18-10-8-17(9-11-18)12-20(2,3)4;2*1-16-10-21(11-18(2,3)4)9-8-17(16)22-12-20(13-22)14-23(15-20)19(5,6)7;2*1-16-10-17(8-9-21(16)11-18(2,3)4)22-12-20(13-22)14-23(15-20)19(5,6)7;1-18(2,3)15-20-9-7-16(8-10-20)17(23)21-11-13-22(14-12-21)19(4,5)6;1-17(2,3)15-19-9-7-16(8-10-19)20-11-13-21(14-12-20)18(4,5)6;1-16(2,3)13-22-14-7-8-18-15(19-14)20-9-11-21(12-10-20)17(4,5)6;2*1-15(2,3)13-20-12-14(19)11-17-7-9-18(10-8-17)16(4,5)6/h16-18H,9-15H2,1-8H3;2*8-11,14-16,23H,12-13H2,1-7H3;4*16-17H,8-15H2,1-7H3;16H,7-15H2,1-6H3;16H,7-15H2,1-6H3;7-8H,9-13H2,1-6H3;2*14,19H,7-13H2,1-6H3/t16-,17+,18?;2*16-;4*16-,17?;;;;2*14-/m0101010...10/s1.
What are the key properties of 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine?
2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 3775.24 g/mol, XLogP of 38.72, 37 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(2S)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;(2R)-1-(4-tert-butylpiperazin-1-yl)-3-(2,2-dimethylpropoxy)propan-2-ol;2-(4-tert-butylpiperazin-1-yl)-4-(2,2-dimethylpropoxy)pyrimidine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 158408790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).