2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol

C5H11NO — CID 118260430

IUPAC2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol
SMILES[2H]C1([2H])NC([2H])([2H])C([2H])(O)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C5H11NO/c7-5-2-1-3-6-4-5/h5-7H,1-4H2/i1D2,2D2,3D2,4D2,5D
InChIKeyBIWOSRSKDCZIFM-UHUJFCCWSA-N
MW110.20 g/mol
LogP-0.27
Rot. Bonds

About 2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol

2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol (PubChem CID 118260430) has the molecular formula C5H11NO and a molecular weight of 110.20 g/mol. Its IUPAC name is 2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol.

Molecular Properties

Compound Name2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol
PubChem CID118260430
Molecular FormulaC5H11NO
Molecular Weight110.20 g/mol
Exact Mass110.14
IUPAC Name2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol
SMILES[2H]C1([2H])NC([2H])([2H])C([2H])(O)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C5H11NO/c7-5-2-1-3-6-4-5/h5-7H,1-4H2/i1D2,2D2,3D2,4D2,5D
InChIKeyBIWOSRSKDCZIFM-UHUJFCCWSA-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 ≤ 500110.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride
CID 171394746
1,2,2,4,4-pentadeuteriocyclobutan-1-ol
CID 23270591
methane;2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;(3R)-2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-amine;2,4,5,6-tetradeuteriopyridin-3-amine
CID 160971406
3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid
CID 118451416
(3R,5R)-piperidine-3,4,5-triol
CID 10464382
1,3-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)urea
CID 170991357
piperidine-3,4,5-triol;hydrochloride
CID 73223230
(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
CID 146675644
azetidin-3-ol;hydrobromide
CID 142777193
1,2,2,3,3,4,4,5,5-nonadeuteriopiperidine
CID 91546557
(3R,4S,5R,6R)-6-methylazepane-3,4,5-triol;hydrochloride
CID 56950388
N,N,1,2,2,3,3,4,4,5,5-undecadeuteriocyclohexan-1-amine;hydrochloride
CID 87367130

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol?
The IUPAC name of 2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol (CID 118260430) is 2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol.
What is the SMILES notation for 2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol?
The canonical SMILES for 2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol is [2H]C1([2H])NC([2H])([2H])C([2H])(O)C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol?
The InChIKey is BIWOSRSKDCZIFM-UHUJFCCWSA-N. The full InChI is InChI=1S/C5H11NO/c7-5-2-1-3-6-4-5/h5-7H,1-4H2/i1D2,2D2,3D2,4D2,5D.
What are the key properties of 2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol?
2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol has a molecular weight of 110.20 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 2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol is sourced from PubChem (CID 118260430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).