1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine

C167H327F3N10O20 — CID 167558982

About 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine

1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine (PubChem CID 167558982) has the molecular formula C167H327F3N10O20 and a molecular weight of 2852.50 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine.

Molecular Properties

• Compound Name: 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine
• PubChem CID: 167558982
• Molecular Formula: C167H327F3N10O20
• Molecular Weight: 2852.50 g/mol
• Exact Mass: 2850.48
• IUPAC Name: 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine
• SMILES: CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)OC1CC(OCCCCCCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)(C)OCCCCCOCCCCCC1CCN(C(C)(C)C)CC1.CC(C)(C)OCCCCCOCCCCCN1CC(OC(C)(C)C)C1.CC(C)(C)OCCCCCOCCCCCOC1CN(C(C)(C)C)C1.CC(C)(C)OCCCCCOCCCCCOC1CN(OC(C)(C)C)C1.CC(C)(C)OCCCCCOCCOC(CC1CCN(C(C)(C)C)CC1)C(F)(F)F
• InChI: InChI=1S/C23H44F3NO3.C23H47NO2.C22H44N2O2.C22H33NO3.C21H43NO4.2C21H43NO3.C14H30N2/c1-21(2,3)27-12-10-19(11-13-27)18-20(23(24,25)26)29-17-16-28-14-8-7-9-15-30-22(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;1-21(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;1-21(2,3)24-13-9-7-8-10-17-11-12-18(16-23-17)25-19-14-20(15-19)26-22(4,5)6;1-20(2,3)25-16-12-8-10-14-23-13-9-7-11-15-24-19-17-22(18-19)26-21(4,5)6;1-20(2,3)22-17-19(18-22)24-15-11-7-9-13-23-14-10-8-12-16-25-21(4,5)6;1-20(2,3)24-16-12-8-11-15-23-14-10-7-9-13-22-17-19(18-22)25-21(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6/h19-20H,7-18H2,1-6H3;21H,7-20H2,1-6H3;19-20H,7-18H2,1-6H3;11-12,16,19-20H,7,9,13-15H2,1-6H3;19H,7-18H2,1-6H3;2*19H,7-18H2,1-6H3;7-12H2,1-6H3
• InChIKey: DJTULGKYAINRGC-UHFFFAOYSA-N
• XLogP: 37.72
• TPSA: 226.65 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 81
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2852.50
LogP ≤ 5	37.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine?

The IUPAC name of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine (CID 167558982) is 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine.

What is the SMILES notation for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine?

The canonical SMILES for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine is CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)OC1CC(OCCCCCCN2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCC#Cc1ccc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)(C)OCCCCCOCCCCCC1CCN(C(C)(C)C)CC1.CC(C)(C)OCCCCCOCCCCCN1CC(OC(C)(C)C)C1.CC(C)(C)OCCCCCOCCCCCOC1CN(C(C)(C)C)C1.CC(C)(C)OCCCCCOCCCCCOC1CN(OC(C)(C)C)C1.CC(C)(C)OCCCCCOCCOC(CC1CCN(C(C)(C)C)CC1)C(F)(F)F.

What is the InChIKey of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine?

The InChIKey is DJTULGKYAINRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44F3NO3.C23H47NO2.C22H44N2O2.C22H33NO3.C21H43NO4.2C21H43NO3.C14H30N2/c1-21(2,3)27-12-10-19(11-13-27)18-20(23(24,25)26)29-17-16-28-14-8-7-9-15-30-22(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;1-21(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;1-21(2,3)24-13-9-7-8-10-17-11-12-18(16-23-17)25-19-14-20(15-19)26-22(4,5)6;1-20(2,3)25-16-12-8-10-14-23-13-9-7-11-15-24-19-17-22(18-19)26-21(4,5)6;1-20(2,3)22-17-19(18-22)24-15-11-7-9-13-23-14-10-8-12-16-25-21(4,5)6;1-20(2,3)24-16-12-8-11-15-23-14-10-7-9-13-22-17-19(18-22)25-21(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6/h19-20H,7-18H2,1-6H3;21H,7-20H2,1-6H3;19-20H,7-18H2,1-6H3;11-12,16,19-20H,7,9,13-15H2,1-6H3;19H,7-18H2,1-6H3;2*19H,7-18H2,1-6H3;7-12H2,1-6H3.

What are the key properties of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine?

1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine has a molecular weight of 2852.50 g/mol, XLogP of 37.72, 81 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;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;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine is sourced from PubChem (CID 167558982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).