1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine

C13H27N — CID 153470715

IUPAC1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine
SMILES[2H]C1([2H])CC(C(C)(C)C)CC([2H])([2H])N1C(C)(C)C
InChIInChI=1S/C13H27N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h11H,7-10H2,1-6H3/i9D2,10D2
InChIKeyDAZLXPUSMBNBGA-YQUBHJMPSA-N
MW201.39 g/mol
LogP3.54
Rot. Bonds

About 1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine

1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine (PubChem CID 153470715) has the molecular formula C13H27N and a molecular weight of 201.39 g/mol. Its IUPAC name is 1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine.

Molecular Properties

Compound Name1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine
PubChem CID153470715
Molecular FormulaC13H27N
Molecular Weight201.39 g/mol
Exact Mass201.24
IUPAC Name1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine
SMILES[2H]C1([2H])CC(C(C)(C)C)CC([2H])([2H])N1C(C)(C)C
InChIInChI=1S/C13H27N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h11H,7-10H2,1-6H3/i9D2,10D2
InChIKeyDAZLXPUSMBNBGA-YQUBHJMPSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-ditert-butyl-2,2,3-trideuteriopiperidine
CID 176728380
1,4-ditert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperazine
CID 172546515
1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane
CID 159819553
1,3,5-tritert-butylpiperidine
CID 118013533
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine
CID 134335583
1-tert-butylpiperidine;4-tert-butylpiperidine
CID 161268156
1,3-ditert-butylpiperidine;methane
CID 157116364
1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;methane
CID 159756767
1-tert-butyl-3-(4-tert-butylcyclohexyl)sulfonylazetidine
CID 153186036
1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine
CID 170019635
4-tert-butyl-1-(2,3,3-trimethylbutan-2-yl)piperidine
CID 58465365

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine?
The IUPAC name of 1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine (CID 153470715) is 1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine.
What is the SMILES notation for 1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine?
The canonical SMILES for 1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine is [2H]C1([2H])CC(C(C)(C)C)CC([2H])([2H])N1C(C)(C)C.
What is the InChIKey of 1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine?
The InChIKey is DAZLXPUSMBNBGA-YQUBHJMPSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h11H,7-10H2,1-6H3/i9D2,10D2.
What are the key properties of 1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine?
1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine has a molecular weight of 201.39 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-2,2,6,6-tetradeuteriopiperidine is sourced from PubChem (CID 153470715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).