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

C217H387F6N33O — CID 160663315

IUPAC(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;6-[(2R,5R)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;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;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC(C)(C)CN1CCC(C(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)Cc1ccc(-c2cn([C@@H](CNC(C)(C)C)C(F)(F)F)cn2)cc1.CC(C)(C)Cc1ccc(-c2cn([C@H](CNC(C)(C)C)C(F)(F)F)cn2)cc1.CC(C)N1CC2(C1)CN(C1CCN(CC(C)(C)C)C[C@@H]1C)C2.CC(C)N1CC2(C1)CN(C1CCN(CC(C)(C)C)[C@@H](C)C1)C2.CC(C)N1CC2(C1)CN(C1CCN(CC(C)(C)C)[C@H](C)C1)C2.CC(C)N1CC2(C1)CN(C1C[C@@H](C)N(CC(C)(C)C)C[C@@H]1C)C2.CC(C)N1CC2(C1)CN(C1C[C@@H](C)N(CC(C)(C)C)C[C@H]1C)C2.CC(C)N1CCN(C2CCN(CC(C)(C)C)CC2)CC1.C[C@@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.C[C@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1
InChIInChI=1S/2C21H30F3N3.2C21H33N3.2C20H39N3.C19H37N3O.3C19H37N3.C17H35N3/c2*1-19(2,3)11-15-7-9-16(10-8-15)17-13-27(14-25-17)18(21(22,23)24)12-26-20(4,5)6;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*1-15(2)22-11-20(12-22)13-23(14-20)18-8-17(4)21(9-16(18)3)10-19(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;1-15(2)21-11-19(12-21)13-22(14-19)17-7-8-20(9-16(17)3)10-18(4,5)6;2*1-15(2)21-11-19(12-21)13-22(14-19)17-7-8-20(16(3)9-17)10-18(4,5)6;1-15(2)19-10-12-20(13-11-19)16-6-8-18(9-7-16)14-17(3,4)5/h2*7-10,13-14,18,26H,11-12H2,1-6H3;2*8-11,14-16,23H,12-13H2,1-7H3;2*15-18H,8-14H2,1-7H3;16H,7-15H2,1-6H3;3*15-17H,7-14H2,1-6H3;15-16H,6-14H2,1-5H3/t2*18-;2*16-;16-,17+,18?;16-,17-,18?;;3*16-,17?;/m101001.010./s1
InChIKeyRLYORFHVAVITCD-QBPKFFRJSA-N
MW3588.70 g/mol
LogP41.55
Rot. Bonds40

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

(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;6-[(2R,5R)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;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;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-propan-2-ylpiperazine (PubChem CID 160663315) has the molecular formula C217H387F6N33O and a molecular weight of 3588.70 g/mol. Its IUPAC name is (4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;6-[(2R,5R)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;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;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;6-[(2R,5R)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;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;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-propan-2-ylpiperazine
PubChem CID160663315
Molecular FormulaC217H387F6N33O
Molecular Weight3588.70 g/mol
Exact Mass3586.12
IUPAC Name(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;6-[(2R,5R)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;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;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC(C)(C)CN1CCC(C(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)Cc1ccc(-c2cn([C@@H](CNC(C)(C)C)C(F)(F)F)cn2)cc1.CC(C)(C)Cc1ccc(-c2cn([C@H](CNC(C)(C)C)C(F)(F)F)cn2)cc1.CC(C)N1CC2(C1)CN(C1CCN(CC(C)(C)C)C[C@@H]1C)C2.CC(C)N1CC2(C1)CN(C1CCN(CC(C)(C)C)[C@@H](C)C1)C2.CC(C)N1CC2(C1)CN(C1CCN(CC(C)(C)C)[C@H](C)C1)C2.CC(C)N1CC2(C1)CN(C1C[C@@H](C)N(CC(C)(C)C)C[C@@H]1C)C2.CC(C)N1CC2(C1)CN(C1C[C@@H](C)N(CC(C)(C)C)C[C@H]1C)C2.CC(C)N1CCN(C2CCN(CC(C)(C)C)CC2)CC1.C[C@@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.C[C@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1
InChIInChI=1S/2C21H30F3N3.2C21H33N3.2C20H39N3.C19H37N3O.3C19H37N3.C17H35N3/c2*1-19(2,3)11-15-7-9-16(10-8-15)17-13-27(14-25-17)18(21(22,23)24)12-26-20(4,5)6;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*1-15(2)22-11-20(12-22)13-23(14-20)18-8-17(4)21(9-16(18)3)10-19(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;1-15(2)21-11-19(12-21)13-22(14-19)17-7-8-20(9-16(17)3)10-18(4,5)6;2*1-15(2)21-11-19(12-21)13-22(14-19)17-7-8-20(16(3)9-17)10-18(4,5)6;1-15(2)19-10-12-20(13-11-19)16-6-8-18(9-7-16)14-17(3,4)5/h2*7-10,13-14,18,26H,11-12H2,1-6H3;2*8-11,14-16,23H,12-13H2,1-7H3;2*15-18H,8-14H2,1-7H3;16H,7-15H2,1-6H3;3*15-17H,7-14H2,1-6H3;15-16H,6-14H2,1-5H3/t2*18-;2*16-;16-,17+,18?;16-,17-,18?;;3*16-,17?;/m101001.010./s1
InChIKeyRLYORFHVAVITCD-QBPKFFRJSA-N
XLogP41.55
TPSA204.51 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds40
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003588.70
LogP ≤ 541.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

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

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;6-[(2R,5R)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;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;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The IUPAC name of (4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;6-[(2R,5R)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;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;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-propan-2-ylpiperazine (CID 160663315) is (4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;6-[(2R,5R)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;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;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for (4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;6-[(2R,5R)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;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;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for (4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;6-[(2R,5R)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;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;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-propan-2-ylpiperazine is CC(C)(C)CN1CCC(C(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)Cc1ccc(-c2cn([C@@H](CNC(C)(C)C)C(F)(F)F)cn2)cc1.CC(C)(C)Cc1ccc(-c2cn([C@H](CNC(C)(C)C)C(F)(F)F)cn2)cc1.CC(C)N1CC2(C1)CN(C1CCN(CC(C)(C)C)C[C@@H]1C)C2.CC(C)N1CC2(C1)CN(C1CCN(CC(C)(C)C)[C@@H](C)C1)C2.CC(C)N1CC2(C1)CN(C1CCN(CC(C)(C)C)[C@H](C)C1)C2.CC(C)N1CC2(C1)CN(C1C[C@@H](C)N(CC(C)(C)C)C[C@@H]1C)C2.CC(C)N1CC2(C1)CN(C1C[C@@H](C)N(CC(C)(C)C)C[C@H]1C)C2.CC(C)N1CCN(C2CCN(CC(C)(C)C)CC2)CC1.C[C@@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.C[C@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.
What is the InChIKey of (4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;6-[(2R,5R)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;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;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
The InChIKey is RLYORFHVAVITCD-QBPKFFRJSA-N. The full InChI is InChI=1S/2C21H30F3N3.2C21H33N3.2C20H39N3.C19H37N3O.3C19H37N3.C17H35N3/c2*1-19(2,3)11-15-7-9-16(10-8-15)17-13-27(14-25-17)18(21(22,23)24)12-26-20(4,5)6;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*1-15(2)22-11-20(12-22)13-23(14-20)18-8-17(4)21(9-16(18)3)10-19(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;1-15(2)21-11-19(12-21)13-22(14-19)17-7-8-20(9-16(17)3)10-18(4,5)6;2*1-15(2)21-11-19(12-21)13-22(14-19)17-7-8-20(16(3)9-17)10-18(4,5)6;1-15(2)19-10-12-20(13-11-19)16-6-8-18(9-7-16)14-17(3,4)5/h2*7-10,13-14,18,26H,11-12H2,1-6H3;2*8-11,14-16,23H,12-13H2,1-7H3;2*15-18H,8-14H2,1-7H3;16H,7-15H2,1-6H3;3*15-17H,7-14H2,1-6H3;15-16H,6-14H2,1-5H3/t2*18-;2*16-;16-,17+,18?;16-,17-,18?;;3*16-,17?;/m101001.010./s1.
What are the key properties of (4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;6-[(2R,5R)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;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;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-propan-2-ylpiperazine?
(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;6-[(2R,5R)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;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;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-propan-2-ylpiperazine has a molecular weight of 3588.70 g/mol, XLogP of 41.55, 40 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone;6-[(2R,5R)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane;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;N-[(2S)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;N-[(2R)-2-[4-[4-(2,2-dimethylpropyl)phenyl]imidazol-1-yl]-3,3,3-trifluoropropyl]-2-methylpropan-2-amine;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 160663315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).