bis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene

C10H20N4 — CID 171049260

IUPACbis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene
SMILES[2H]N1CC([2H])([2H])C([2H])(/N=N/C2([2H])C([2H])([2H])CN([2H])C([2H])([2H])C2([2H])[2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C10H20N4/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h9-12H,1-8H2/b14-13+/i1D2,2D2,3D2,4D2,5D2,7D2,9D,10D/hD2
InChIKeyLPJAZSOFEHITCZ-PCLQUYLZSA-N
MW212.40 g/mol
LogP0.94
Rot. Bonds2

About bis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene

bis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene (PubChem CID 171049260) has the molecular formula C10H20N4 and a molecular weight of 212.40 g/mol. Its IUPAC name is bis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene.

Molecular Properties

Compound Namebis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene
PubChem CID171049260
Molecular FormulaC10H20N4
Molecular Weight212.40 g/mol
Exact Mass212.27
IUPAC Namebis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene
SMILES[2H]N1CC([2H])([2H])C([2H])(/N=N/C2([2H])C([2H])([2H])CN([2H])C([2H])([2H])C2([2H])[2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C10H20N4/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h9-12H,1-8H2/b14-13+/i1D2,2D2,3D2,4D2,5D2,7D2,9D,10D/hD2
InChIKeyLPJAZSOFEHITCZ-PCLQUYLZSA-N
XLogP0.94
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine
CID 91546557
2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride
CID 171394746
tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate
CID 87125599
2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol
CID 118260430
1,2-dideuteriopiperidine
CID 173270725
trans-(1R,2R)-1,2,3-trideuterio(313C)cyclopropane
CID 100919979
5-propan-2-ylazepan-4-amine
CID 84763761
4-piperidin-4-ylpiperidine;trihydrochloride
CID 172779803
1,2,2,4,4-pentadeuteriocyclobutan-1-ol
CID 23270591
1,2,2,3,3,5,5,6,6-nonadeuterio-4-(trideuteriomethyl)piperazine
CID 59868641
4-deuteriopiperidine-4-carbonitrile
CID 171780167
1,4,7,10,13,16,19,22-octazacyclotetracosane
CID 6395032

Frequently Asked Questions

What is the IUPAC name of bis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene?
The IUPAC name of bis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene (CID 171049260) is bis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene.
What is the SMILES notation for bis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene?
The canonical SMILES for bis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene is [2H]N1CC([2H])([2H])C([2H])(/N=N/C2([2H])C([2H])([2H])CN([2H])C([2H])([2H])C2([2H])[2H])C([2H])([2H])C1([2H])[2H].
What is the InChIKey of bis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene?
The InChIKey is LPJAZSOFEHITCZ-PCLQUYLZSA-N. The full InChI is InChI=1S/C10H20N4/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h9-12H,1-8H2/b14-13+/i1D2,2D2,3D2,4D2,5D2,7D2,9D,10D/hD2.
What are the key properties of bis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene?
bis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene has a molecular weight of 212.40 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene is sourced from PubChem (CID 171049260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).