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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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

C174H322N24O3 — CID 167637022

About 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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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-[(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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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 167637022) has the molecular formula C174H322N24O3 and a molecular weight of 2798.65 g/mol. Its IUPAC name is 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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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 Name: 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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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: 167637022
• Molecular Formula: C174H322N24O3
• Molecular Weight: 2798.65 g/mol
• Exact Mass: 2796.58
• IUPAC Name: 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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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
• SMILES: 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)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)(C)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)(C)Cc1ccc(N2CC[C@H](NC(C)(C)C)C2)cc1.C[C@@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.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]1CN(CC(C)(C)C)CCC1N1CC2(C1)CN(C(C)(C)C)C2
• InChI: InChI=1S/2C21H33N3.2C20H39N3.C19H37N3O.C19H32N2.C18H37N3.2C18H36N2O/c2*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;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;1-18(2,3)13-15-7-9-17(10-8-15)21-12-11-16(14-21)20-19(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;2*1-17(2,3)13-20-9-7-15(8-10-20)21-16-11-14(12-16)19-18(4,5)6/h2*8-11,14-16,23H,12-13H2,1-7H3;2*16-17H,8-15H2,1-7H3;16H,7-15H2,1-6H3;7-10,16,20H,11-14H2,1-6H3;16H,7-15H2,1-6H3;2*14-16,19H,7-13H2,1-6H3/t2*16-;2*16-,17?;;16-;;;/m1010.0.../s1
• InChIKey: OPTRZJWOMMQTIS-HEHFYICZSA-N
• XLogP: 33.20
• TPSA: 179.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2798.65
LogP ≤ 5	33.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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-[(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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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 167637022) is 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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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-[(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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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-[(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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)(C)CN1CCC(OC2CC(NC(C)(C)C)C2)CC1.CC(C)(C)Cc1ccc(N2CC[C@H](NC(C)(C)C)C2)cc1.C[C@@H](CNC(C)(C)C)n1cnc(-c2ccc(CC(C)(C)C)cc2)c1.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]1CN(CC(C)(C)C)CCC1N1CC2(C1)CN(C(C)(C)C)C2.

What is the InChIKey of 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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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 OPTRZJWOMMQTIS-HEHFYICZSA-N. The full InChI is InChI=1S/2C21H33N3.2C20H39N3.C19H37N3O.C19H32N2.C18H37N3.2C18H36N2O/c2*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;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;1-18(2,3)13-15-7-9-17(10-8-15)21-12-11-16(14-21)20-19(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;2*1-17(2,3)13-20-9-7-15(8-10-20)21-16-11-14(12-16)19-18(4,5)6/h2*8-11,14-16,23H,12-13H2,1-7H3;2*16-17H,8-15H2,1-7H3;16H,7-15H2,1-6H3;7-10,16,20H,11-14H2,1-6H3;16H,7-15H2,1-6H3;2*14-16,19H,7-13H2,1-6H3/t2*16-;2*16-,17?;;16-;;;/m1010.0.../s1.

What are the key properties of 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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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-[(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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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 2798.65 g/mol, XLogP of 33.20, 29 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 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;(3S)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;bis(N-tert-butyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxycyclobutan-1-amine);1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(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 167637022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).