tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate

C128H238N6O24 — CID 158184004

About tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate

tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate (PubChem CID 158184004) has the molecular formula C128H238N6O24 and a molecular weight of 2245.33 g/mol. Its IUPAC name is tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate
• PubChem CID: 158184004
• Molecular Formula: C128H238N6O24
• Molecular Weight: 2245.33 g/mol
• Exact Mass: 2243.76
• IUPAC Name: tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate
• SMILES: CCC(C)(C)C(=O)OC1(C(C)C)CCN(C(=O)OC(C)(C)C(C)C)CC1.CCC(C)(C)C(=O)OC1(C(C)C)CCN(C(=O)OC(C)(C)C)CC1.CCC(C)(C)OC(=O)N1CCC(OC(=O)C(C)(C)CC)(C(C)C)CC1.CCC(CC)(CC)OC(=O)N1CCC(OC(=O)C(C)(C)CC)(C(C)C)CC1.CCCC(C)(C)OC(=O)N1CCC(OC(=O)C(C)(C)CC)(C(C)C)CC1.CCCC(CCC)(CCC)OC(=O)N1CCC(OC(=O)C(C)(C)CC)(C(C)C)CC1
• InChI: InChI=1S/C25H47NO4.C22H41NO4.2C21H39NO4.C20H37NO4.C19H35NO4/c1-9-13-24(14-10-2,15-11-3)30-22(28)26-18-16-25(17-19-26,20(5)6)29-21(27)23(7,8)12-4;1-9-20(7,8)18(24)26-22(17(5)6)13-15-23(16-14-22)19(25)27-21(10-2,11-3)12-4;1-10-19(6,7)17(23)25-21(16(4)5)11-13-22(14-12-21)18(24)26-20(8,9)15(2)3;1-9-11-20(7,8)26-18(24)22-14-12-21(13-15-22,16(3)4)25-17(23)19(5,6)10-2;1-9-18(5,6)16(22)24-20(15(3)4)11-13-21(14-12-20)17(23)25-19(7,8)10-2;1-9-18(7,8)15(21)23-19(14(2)3)10-12-20(13-11-19)16(22)24-17(4,5)6/h20H,9-19H2,1-8H3;17H,9-16H2,1-8H3;15-16H,10-14H2,1-9H3;16H,9-15H2,1-8H3;15H,9-14H2,1-8H3;14H,9-13H2,1-8H3
• InChIKey: FYXVPJYUNUWSHM-UHFFFAOYSA-N
• XLogP: 31.67
• TPSA: 335.04 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 42
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2245.33
LogP ≤ 5	31.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate (CID 158184004) is tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate is CCC(C)(C)C(=O)OC1(C(C)C)CCN(C(=O)OC(C)(C)C(C)C)CC1.CCC(C)(C)C(=O)OC1(C(C)C)CCN(C(=O)OC(C)(C)C)CC1.CCC(C)(C)OC(=O)N1CCC(OC(=O)C(C)(C)CC)(C(C)C)CC1.CCC(CC)(CC)OC(=O)N1CCC(OC(=O)C(C)(C)CC)(C(C)C)CC1.CCCC(C)(C)OC(=O)N1CCC(OC(=O)C(C)(C)CC)(C(C)C)CC1.CCCC(CCC)(CCC)OC(=O)N1CCC(OC(=O)C(C)(C)CC)(C(C)C)CC1.

What is the InChIKey of tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate?

The InChIKey is FYXVPJYUNUWSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47NO4.C22H41NO4.2C21H39NO4.C20H37NO4.C19H35NO4/c1-9-13-24(14-10-2,15-11-3)30-22(28)26-18-16-25(17-19-26,20(5)6)29-21(27)23(7,8)12-4;1-9-20(7,8)18(24)26-22(17(5)6)13-15-23(16-14-22)19(25)27-21(10-2,11-3)12-4;1-10-19(6,7)17(23)25-21(16(4)5)11-13-22(14-12-21)18(24)26-20(8,9)15(2)3;1-9-11-20(7,8)26-18(24)22-14-12-21(13-15-22,16(3)4)25-17(23)19(5,6)10-2;1-9-18(5,6)16(22)24-20(15(3)4)11-13-21(14-12-20)17(23)25-19(7,8)10-2;1-9-18(7,8)15(21)23-19(14(2)3)10-12-20(13-11-19)16(22)24-17(4,5)6/h20H,9-19H2,1-8H3;17H,9-16H2,1-8H3;15-16H,10-14H2,1-9H3;16H,9-15H2,1-8H3;15H,9-14H2,1-8H3;14H,9-13H2,1-8H3.

What are the key properties of tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate?

tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 2245.33 g/mol, XLogP of 31.67, 42 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2,3-dimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;3-ethylpentan-3-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;2-methylpentan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate;4-propylheptan-4-yl 4-(2,2-dimethylbutanoyloxy)-4-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 158184004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).