tert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate

C11H21NO2 — CID 118402230

IUPACtert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate
SMILES[2H]C1([2H])CN(C(=O)OC(C)(C)C)CC([2H])([2H])C1C
InChIInChI=1S/C11H21NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h9H,5-8H2,1-4H3/i5D2,6D2
InChIKeyOXSSNJRGXRJNPX-NZLXMSDQSA-N
MW203.32 g/mol
LogP2.65
Rot. Bonds

About tert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate

tert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate (PubChem CID 118402230) has the molecular formula C11H21NO2 and a molecular weight of 203.32 g/mol. Its IUPAC name is tert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate
PubChem CID118402230
Molecular FormulaC11H21NO2
Molecular Weight203.32 g/mol
Exact Mass203.18
IUPAC Nametert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate
SMILES[2H]C1([2H])CN(C(=O)OC(C)(C)C)CC([2H])([2H])C1C
InChIInChI=1S/C11H21NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h9H,5-8H2,1-4H3/i5D2,6D2
InChIKeyOXSSNJRGXRJNPX-NZLXMSDQSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 3342289
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
tert-butyl 4-[2-(methylamino)propan-2-yl]piperidine-1-carboxylate
CID 84708894
tert-butyl (4S,5S)-4-amino-5-methylazepane-1-carboxylate
CID 124523400

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate (CID 118402230) is tert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate is [2H]C1([2H])CN(C(=O)OC(C)(C)C)CC([2H])([2H])C1C.
What is the InChIKey of tert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate?
The InChIKey is OXSSNJRGXRJNPX-NZLXMSDQSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h9H,5-8H2,1-4H3/i5D2,6D2.
What are the key properties of tert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate?
tert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate has a molecular weight of 203.32 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3,5,5-tetradeuterio-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 118402230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).