tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate

C20H37NO4 — CID 158168486

IUPACtert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
SMILESCCC(C)(C)C(=O)OC1(C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H37NO4/c1-10-19(8,9)15(22)24-20(17(2,3)4)11-13-21(14-12-20)16(23)25-18(5,6)7/h10-14H2,1-9H3
InChIKeyRJVCBUBDWIWBST-UHFFFAOYSA-N
MW355.52 g/mol
LogP4.78
Rot. Bonds3

About tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate

tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate (PubChem CID 158168486) has the molecular formula C20H37NO4 and a molecular weight of 355.52 g/mol. Its IUPAC name is tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
PubChem CID158168486
Molecular FormulaC20H37NO4
Molecular Weight355.52 g/mol
Exact Mass355.27
IUPAC Nametert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
SMILESCCC(C)(C)C(=O)OC1(C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H37NO4/c1-10-19(8,9)15(22)24-20(17(2,3)4)11-13-21(14-12-20)16(23)25-18(5,6)7/h10-14H2,1-9H3
InChIKeyRJVCBUBDWIWBST-UHFFFAOYSA-N
XLogP4.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
CID 157292574
2-methylbutan-2-yl 3-tert-butyl-3-(2,2-dimethylbutanoyloxy)pyrrolidine-1-carboxylate
CID 161302334
(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate
CID 162159070
(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate
CID 58776795
(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 3-(2,2-dimethylbutanoyloxy)-3-methylpyrrolidine-1-carboxylate
CID 159331362
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl 4-carbonochloridoyl-4-fluoropiperidine-1-carboxylate
CID 59658463
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate (CID 158168486) is tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate is CCC(C)(C)C(=O)OC1(C(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
The InChIKey is RJVCBUBDWIWBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO4/c1-10-19(8,9)15(22)24-20(17(2,3)4)11-13-21(14-12-20)16(23)25-18(5,6)7/h10-14H2,1-9H3.
What are the key properties of tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate?
tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate has a molecular weight of 355.52 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate is sourced from PubChem (CID 158168486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).