tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate

C20H36N2O6 — CID 158443232

IUPACtert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate
SMILES[2H]C1([2H])CC(=O)CC([2H])([2H])N1C(=O)OC(C)(C)C.[2H]C1([2H])CC(O)CC([2H])([2H])N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3.C10H17NO3/c2*1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3;4-7H2,1-3H3/i2*6D2,7D2
InChIKeyHDBNNVKFPAJOOH-SRNIYDQQSA-N
MW408.56 g/mol
LogP2.96
Rot. Bonds

About tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate

tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate (PubChem CID 158443232) has the molecular formula C20H36N2O6 and a molecular weight of 408.56 g/mol. Its IUPAC name is tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate
PubChem CID158443232
Molecular FormulaC20H36N2O6
Molecular Weight408.56 g/mol
Exact Mass408.31
IUPAC Nametert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate
SMILES[2H]C1([2H])CC(=O)CC([2H])([2H])N1C(=O)OC(C)(C)C.[2H]C1([2H])CC(O)CC([2H])([2H])N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3.C10H17NO3/c2*1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3;4-7H2,1-3H3/i2*6D2,7D2
InChIKeyHDBNNVKFPAJOOH-SRNIYDQQSA-N
XLogP2.96
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.56
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-((4-hydroxypiperidin-1-yl)methyl)piperidine-1-carboxylate
CID 135396421
Tert-butyl 4-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11609811
tert-Butyl 4-(2-(4-hydroxypiperidin-1-yl)-2-oxoethyl)piperidine-1-carboxylate
CID 20792751
Tert-butyl 4-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylate
CID 66998964
Tert-butyl 4-[3-(4-hydroxypiperidin-1-yl)propyl]-3-oxopiperazine-1-carboxylate
CID 66999518
[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate
CID 67550729
Ethyl 4-hydroxypiperidine-1-carboxylate;ethyl 4-methoxypiperidine-1-carboxylate
CID 68720526
Tert-butyl 4-oxopiperidine-1-carboxylate;4-hydroxypiperidine-1-carboxylic acid
CID 69573764
Tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 70289537
Tert-butyl 4-(4-hydroxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 70826961
Tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate
CID 144044008
Tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;1-(4-methoxypiperidin-1-yl)ethanone
CID 145224238

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate (CID 158443232) is tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate is [2H]C1([2H])CC(=O)CC([2H])([2H])N1C(=O)OC(C)(C)C.[2H]C1([2H])CC(O)CC([2H])([2H])N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate?
The InChIKey is HDBNNVKFPAJOOH-SRNIYDQQSA-N. The full InChI is InChI=1S/C10H19NO3.C10H17NO3/c2*1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3;4-7H2,1-3H3/i2*6D2,7D2.
What are the key properties of tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate?
tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate has a molecular weight of 408.56 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2,6,6-tetradeuterio-4-hydroxypiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 158443232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).