tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate

C87H162N4O16 — CID 162159068

About tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate

tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate (PubChem CID 162159068) has the molecular formula C87H162N4O16 and a molecular weight of 1520.26 g/mol. Its IUPAC name is tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate
• PubChem CID: 162159068
• Molecular Formula: C87H162N4O16
• Molecular Weight: 1520.26 g/mol
• Exact Mass: 1519.20
• IUPAC Name: tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate
• SMILES: CCC(C)(C)C(=O)OC1(C)CCN(C(=O)OC(C(C)C)(C(C)C)C(C)C)CC1.CCC(C)(C)C(=O)OC1(C)CCN(C(=O)OC(C)(C)C(C)(C)C)CC1.CCC1(OC(=O)C(C)(C)CC)CCN(C(=O)OC(C)(C)C)CC1.CCCCC(CCCC)(CCCC)OC(=O)N1CCC(C)(OC(=O)C(C)(C)CC)CC1
• InChI: InChI=1S/C26H49NO4.C23H43NO4.C20H37NO4.C18H33NO4/c1-8-12-15-26(16-13-9-2,17-14-10-3)31-23(29)27-20-18-25(7,19-21-27)30-22(28)24(5,6)11-4;1-11-21(8,9)19(25)27-22(10)12-14-24(15-13-22)20(26)28-23(16(2)3,17(4)5)18(6)7;1-10-18(5,6)15(22)24-20(9)11-13-21(14-12-20)16(23)25-19(7,8)17(2,3)4;1-8-17(6,7)14(20)22-18(9-2)10-12-19(13-11-18)15(21)23-16(3,4)5/h8-21H2,1-7H3;16-18H,11-15H2,1-10H3;10-14H2,1-9H3;8-13H2,1-7H3
• InChIKey: ZMFNKXOKEVSIIZ-UHFFFAOYSA-N
• XLogP: 21.86
• TPSA: 223.36 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1520.26
LogP ≤ 5	21.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate (CID 162159068) is tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate is CCC(C)(C)C(=O)OC1(C)CCN(C(=O)OC(C(C)C)(C(C)C)C(C)C)CC1.CCC(C)(C)C(=O)OC1(C)CCN(C(=O)OC(C)(C)C(C)(C)C)CC1.CCC1(OC(=O)C(C)(C)CC)CCN(C(=O)OC(C)(C)C)CC1.CCCCC(CCCC)(CCCC)OC(=O)N1CCC(C)(OC(=O)C(C)(C)CC)CC1.

What is the InChIKey of tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate?

The InChIKey is ZMFNKXOKEVSIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49NO4.C23H43NO4.C20H37NO4.C18H33NO4/c1-8-12-15-26(16-13-9-2,17-14-10-3)31-23(29)27-20-18-25(7,19-21-27)30-22(28)24(5,6)11-4;1-11-21(8,9)19(25)27-22(10)12-14-24(15-13-22)20(26)28-23(16(2)3,17(4)5)18(6)7;1-10-18(5,6)15(22)24-20(9)11-13-21(14-12-20)16(23)25-19(7,8)17(2,3)4;1-8-17(6,7)14(20)22-18(9-2)10-12-19(13-11-18)15(21)23-16(3,4)5/h8-21H2,1-7H3;16-18H,11-15H2,1-10H3;10-14H2,1-9H3;8-13H2,1-7H3.

What are the key properties of tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate?

tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate has a molecular weight of 1520.26 g/mol, XLogP of 21.86, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(2,2-dimethylbutanoyloxy)-4-ethylpiperidine-1-carboxylate;5-butylnonan-5-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate;2,3,3-trimethylbutan-2-yl 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 162159068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).