1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol

C77H157N11O2 — CID 159694750

About 1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol

1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol (PubChem CID 159694750) has the molecular formula C77H157N11O2 and a molecular weight of 1269.18 g/mol. Its IUPAC name is 1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol.

Molecular Properties

• Compound Name: 1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol
• PubChem CID: 159694750
• Molecular Formula: C77H157N11O2
• Molecular Weight: 1269.18 g/mol
• Exact Mass: 1268.25
• IUPAC Name: 1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol
• SMILES: CC(C)(C)CN1CCC(C)(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CN1CCC(O)(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCCC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OCCN1CC(CC2CCN(C(C)(C)C)CC2)C1
• InChI: InChI=1S/C20H41N3.C19H39N3O.C19H39N3.C19H38N2O/c1-18(2,3)16-21-10-8-20(7,9-11-21)17-22-12-14-23(15-13-22)19(4,5)6;1-17(2,3)15-20-9-7-19(23,8-10-20)16-21-11-13-22(14-12-21)18(4,5)6;1-18(2,3)21-14-12-20(13-15-21)10-7-8-17-9-11-22(16-17)19(4,5)6;1-18(2,3)21-9-7-16(8-10-21)13-17-14-20(15-17)11-12-22-19(4,5)6/h8-17H2,1-7H3;23H,7-16H2,1-6H3;17H,7-16H2,1-6H3;16-17H,7-15H2,1-6H3
• InChIKey: MWWDMDGZEUDHNZ-UHFFFAOYSA-N
• XLogP: 12.76
• TPSA: 65.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1269.18
LogP ≤ 5	12.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol?

The IUPAC name of 1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol (CID 159694750) is 1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol.

What is the SMILES notation for 1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol?

The canonical SMILES for 1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol is CC(C)(C)CN1CCC(C)(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CN1CCC(O)(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCCC2CCN(C(C)(C)C)C2)CC1.CC(C)(C)OCCN1CC(CC2CCN(C(C)(C)C)CC2)C1.

What is the InChIKey of 1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol?

The InChIKey is MWWDMDGZEUDHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3.C19H39N3O.C19H39N3.C19H38N2O/c1-18(2,3)16-21-10-8-20(7,9-11-21)17-22-12-14-23(15-13-22)19(4,5)6;1-17(2,3)15-20-9-7-19(23,8-10-20)16-21-11-13-22(14-12-21)18(4,5)6;1-18(2,3)21-14-12-20(13-15-21)10-7-8-17-9-11-22(16-17)19(4,5)6;1-18(2,3)21-9-7-16(8-10-21)13-17-14-20(15-17)11-12-22-19(4,5)6/h8-17H2,1-7H3;23H,7-16H2,1-6H3;17H,7-16H2,1-6H3;16-17H,7-15H2,1-6H3.

What are the key properties of 1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol?

1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol has a molecular weight of 1269.18 g/mol, XLogP of 12.76, 15 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-[3-(1-tert-butylpyrrolidin-3-yl)propyl]piperazine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-methylpiperidin-4-yl]methyl]piperazine;1-tert-butyl-4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine;4-[(4-tert-butylpiperazin-1-yl)methyl]-1-(2,2-dimethylpropyl)piperidin-4-ol is sourced from PubChem (CID 159694750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).