dideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate

C11H21NO2 — CID 25016907

IUPACdideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate
SMILES[2H]C([2H])OC(=O)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C11H21NO2/c1-10(2)7-6-8-11(3,4)12(10)9(13)14-5/h6-8H2,1-5H3/i5D2
InChIKeySEQBORCPDVJFHT-BFWBPSQCSA-N
MW201.31 g/mol
LogP2.80
Rot. Bonds1

About dideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate

dideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate (PubChem CID 25016907) has the molecular formula C11H21NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is dideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namedideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate
PubChem CID25016907
Molecular FormulaC11H21NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namedideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate
SMILES[2H]C([2H])OC(=O)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C11H21NO2/c1-10(2)7-6-8-11(3,4)12(10)9(13)14-5/h6-8H2,1-5H3/i5D2
InChIKeySEQBORCPDVJFHT-BFWBPSQCSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate?
The IUPAC name of dideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate (CID 25016907) is dideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate.
What is the SMILES notation for dideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate?
The canonical SMILES for dideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate is [2H]C([2H])OC(=O)N1C(C)(C)CCCC1(C)C.
What is the InChIKey of dideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate?
The InChIKey is SEQBORCPDVJFHT-BFWBPSQCSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)7-6-8-11(3,4)12(10)9(13)14-5/h6-8H2,1-5H3/i5D2.
What are the key properties of dideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate?
dideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate has a molecular weight of 201.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dideuteriomethyl 2,2,6,6-tetramethylpiperidine-1-carboxylate is sourced from PubChem (CID 25016907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).