1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine

C5H11N — CID 91546557

IUPAC1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine
SMILES[2H]N1CC([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2/i1D2,2D2,3D2,4D2/hD
InChIKeyNQRYJNQNLNOLGT-KLRAWXKOSA-N
MW94.20 g/mol
LogP0.76
Rot. Bonds

About 1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine

1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine (PubChem CID 91546557) has the molecular formula C5H11N and a molecular weight of 94.20 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine
PubChem CID91546557
Molecular FormulaC5H11N
Molecular Weight94.20 g/mol
Exact Mass94.15
IUPAC Name1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine
SMILES[2H]N1CC([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2/i1D2,2D2,3D2,4D2/hD
InChIKeyNQRYJNQNLNOLGT-KLRAWXKOSA-N
XLogP0.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine?
The IUPAC name of 1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine (CID 91546557) is 1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine?
The canonical SMILES for 1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine is [2H]N1CC([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine?
The InChIKey is NQRYJNQNLNOLGT-KLRAWXKOSA-N. The full InChI is InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2/i1D2,2D2,3D2,4D2/hD.
What are the key properties of 1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine?
1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine has a molecular weight of 94.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine is sourced from PubChem (CID 91546557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).