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

C5H12ClNO — CID 171394746

IUPAC2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride
SMILESCl.[2H]C1([2H])NC([2H])([2H])C([2H])([2H])C([2H])(O)C1([2H])[2H]
InChIInChI=1S/C5H11NO.ClH/c7-5-1-3-6-4-2-5;/h5-7H,1-4H2;1H/i1D2,2D2,3D2,4D2,5D;
InChIKeyVKCORPXOKYDINR-PGXDZSOZSA-N
MW146.66 g/mol
LogP0.15
Rot. Bonds

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

2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride (PubChem CID 171394746) has the molecular formula C5H12ClNO and a molecular weight of 146.66 g/mol. Its IUPAC name is 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride
PubChem CID171394746
Molecular FormulaC5H12ClNO
Molecular Weight146.66 g/mol
Exact Mass146.12
IUPAC Name2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride
SMILESCl.[2H]C1([2H])NC([2H])([2H])C([2H])([2H])C([2H])(O)C1([2H])[2H]
InChIInChI=1S/C5H11NO.ClH/c7-5-1-3-6-4-2-5;/h5-7H,1-4H2;1H/i1D2,2D2,3D2,4D2,5D;
InChIKeyVKCORPXOKYDINR-PGXDZSOZSA-N
XLogP0.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,2,4,4-pentadeuteriocyclobutan-1-ol
CID 23270591
2,2,3,4,4,5,5,6,6-nonadeuteriopiperidin-3-ol
CID 118260430
2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide
CID 131869337
1,2,2,6,6-pentadeuteriocyclohexane-1,4-diol
CID 23270698
3,3,4,5,5-pentadeuterio-4-hydroxypiperidine-1-carboxylic acid
CID 118451416
piperidine-3,4,5-triol;hydrochloride
CID 73223230
(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 121229170
bis(1,2,2,3,3,4,5,5-octadeuteriopiperidin-4-yl)diazene
CID 171049260
3,3,5,5-tetradeuteriomorpholine
CID 12723873
(3R,5R)-piperidine-3,4,5-triol
CID 10464382
(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride
CID 67314821
(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
CID 146675644

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride?
The IUPAC name of 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride (CID 171394746) is 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride.
What is the SMILES notation for 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride?
The canonical SMILES for 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride is Cl.[2H]C1([2H])NC([2H])([2H])C([2H])([2H])C([2H])(O)C1([2H])[2H].
What is the InChIKey of 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride?
The InChIKey is VKCORPXOKYDINR-PGXDZSOZSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c7-5-1-3-6-4-2-5;/h5-7H,1-4H2;1H/i1D2,2D2,3D2,4D2,5D;.
What are the key properties of 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride?
2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride has a molecular weight of 146.66 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride is sourced from PubChem (CID 171394746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).