(3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol

C5H10N2O2 — CID 169444919

IUPAC(3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol
SMILES[2H]C1([2H])CC[C@H](O)C([2H])([2H])N1N=O
InChIInChI=1S/C5H10N2O2/c8-5-2-1-3-7(4-5)6-9/h5,8H,1-4H2/t5-/m0/s1/i3D2,4D2
InChIKeyQCVPQZJTIBYSOX-JUNUVOGSSA-N
MW134.17 g/mol
LogP0.12
Rot. Bonds1

About (3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol

(3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol (PubChem CID 169444919) has the molecular formula C5H10N2O2 and a molecular weight of 134.17 g/mol. Its IUPAC name is (3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol.

Molecular Properties

Compound Name(3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol
PubChem CID169444919
Molecular FormulaC5H10N2O2
Molecular Weight134.17 g/mol
Exact Mass134.10
IUPAC Name(3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol
SMILES[2H]C1([2H])CC[C@H](O)C([2H])([2H])N1N=O
InChIInChI=1S/C5H10N2O2/c8-5-2-1-3-7(4-5)6-9/h5,8H,1-4H2/t5-/m0/s1/i3D2,4D2
InChIKeyQCVPQZJTIBYSOX-JUNUVOGSSA-N
XLogP0.12
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.17
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol?
The IUPAC name of (3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol (CID 169444919) is (3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol.
What is the SMILES notation for (3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol?
The canonical SMILES for (3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol is [2H]C1([2H])CC[C@H](O)C([2H])([2H])N1N=O.
What is the InChIKey of (3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol?
The InChIKey is QCVPQZJTIBYSOX-JUNUVOGSSA-N. The full InChI is InChI=1S/C5H10N2O2/c8-5-2-1-3-7(4-5)6-9/h5,8H,1-4H2/t5-/m0/s1/i3D2,4D2.
What are the key properties of (3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol?
(3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol has a molecular weight of 134.17 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2,6,6-tetradeuterio-1-nitrosopiperidin-3-ol is sourced from PubChem (CID 169444919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).