tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate

C16H29NO4 — CID 160869586

IUPACtert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate
SMILESCC(C)CC(=O)OC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H29NO4/c1-12(2)11-13(18)20-16(6)7-9-17(10-8-16)14(19)21-15(3,4)5/h12H,7-11H2,1-6H3
InChIKeySLOSPCWWPXWEDW-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.37
Rot. Bonds3

About tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate

tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate (PubChem CID 160869586) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate
PubChem CID160869586
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nametert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate
SMILESCC(C)CC(=O)OC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H29NO4/c1-12(2)11-13(18)20-16(6)7-9-17(10-8-16)14(19)21-15(3,4)5/h12H,7-11H2,1-6H3
InChIKeySLOSPCWWPXWEDW-UHFFFAOYSA-N
XLogP3.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate
CID 83206494
tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate
CID 83206348
tert-butyl 4-methyl-4-(2-methylpropylamino)piperidine-1-carboxylate
CID 104956396
(2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-(2,2-dimethylbutanoyloxy)-4-methylpiperidine-1-carboxylate
CID 162159070
tert-butyl 4-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 103915982
tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate
CID 126578162
tert-butyl 4-methyl-4-(2,2,2-trifluoroethoxy)piperidine-1-carboxylate
CID 83207570
tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
CID 170341437
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate
CID 57420345
tert-butyl 4-[2-(dimethylamino)ethoxy]-4-methylpiperidine-1-carboxylate
CID 83206653
tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate
CID 71134902

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate (CID 160869586) is tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate is CC(C)CC(=O)OC1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate?
The InChIKey is SLOSPCWWPXWEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-12(2)11-13(18)20-16(6)7-9-17(10-8-16)14(19)21-15(3,4)5/h12H,7-11H2,1-6H3.
What are the key properties of tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate?
tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate is sourced from PubChem (CID 160869586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).