3,3,4,5,5-pentadeuteriopiperidin-4-ol

C5H11NO — CID 117064546

IUPAC3,3,4,5,5-pentadeuteriopiperidin-4-ol
SMILES[2H]C1([2H])CNCC([2H])([2H])C1([2H])O
InChIInChI=1S/C5H11NO/c7-5-1-3-6-4-2-5/h5-7H,1-4H2/i1D2,2D2,5D
InChIKeyHDOWRFHMPULYOA-QJWYSIDNSA-N
MW106.18 g/mol
LogP-0.27
Rot. Bonds

About 3,3,4,5,5-pentadeuteriopiperidin-4-ol

3,3,4,5,5-pentadeuteriopiperidin-4-ol (PubChem CID 117064546) has the molecular formula C5H11NO and a molecular weight of 106.18 g/mol. Its IUPAC name is 3,3,4,5,5-pentadeuteriopiperidin-4-ol.

Molecular Properties

Compound Name3,3,4,5,5-pentadeuteriopiperidin-4-ol
PubChem CID117064546
Molecular FormulaC5H11NO
Molecular Weight106.18 g/mol
Exact Mass106.12
IUPAC Name3,3,4,5,5-pentadeuteriopiperidin-4-ol
SMILES[2H]C1([2H])CNCC([2H])([2H])C1([2H])O
InChIInChI=1S/C5H11NO/c7-5-1-3-6-4-2-5/h5-7H,1-4H2/i1D2,2D2,5D
InChIKeyHDOWRFHMPULYOA-QJWYSIDNSA-N
XLogP-0.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.18
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,5-pentadeuteriopiperidin-4-ol?
The IUPAC name of 3,3,4,5,5-pentadeuteriopiperidin-4-ol (CID 117064546) is 3,3,4,5,5-pentadeuteriopiperidin-4-ol.
What is the SMILES notation for 3,3,4,5,5-pentadeuteriopiperidin-4-ol?
The canonical SMILES for 3,3,4,5,5-pentadeuteriopiperidin-4-ol is [2H]C1([2H])CNCC([2H])([2H])C1([2H])O.
What is the InChIKey of 3,3,4,5,5-pentadeuteriopiperidin-4-ol?
The InChIKey is HDOWRFHMPULYOA-QJWYSIDNSA-N. The full InChI is InChI=1S/C5H11NO/c7-5-1-3-6-4-2-5/h5-7H,1-4H2/i1D2,2D2,5D.
What are the key properties of 3,3,4,5,5-pentadeuteriopiperidin-4-ol?
3,3,4,5,5-pentadeuteriopiperidin-4-ol has a molecular weight of 106.18 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5-pentadeuteriopiperidin-4-ol is sourced from PubChem (CID 117064546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).