2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile

C11H20N2O2 — CID 23550173

IUPAC2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile
SMILESCC1(C)CC(C(O)C#N)CC(C)(C)N1O
InChIInChI=1S/C11H20N2O2/c1-10(2)5-8(9(14)7-12)6-11(3,4)13(10)15/h8-9,14-15H,5-6H2,1-4H3
InChIKeyHHZXZFUSWNFAFE-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.53
Rot. Bonds1

About 2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile

2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile (PubChem CID 23550173) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile
PubChem CID23550173
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile
SMILESCC1(C)CC(C(O)C#N)CC(C)(C)N1O
InChIInChI=1S/C11H20N2O2/c1-10(2)5-8(9(14)7-12)6-11(3,4)13(10)15/h8-9,14-15H,5-6H2,1-4H3
InChIKeyHHZXZFUSWNFAFE-UHFFFAOYSA-N
XLogP1.53
TPSA67.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile?
The IUPAC name of 2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile (CID 23550173) is 2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile.
What is the SMILES notation for 2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile?
The canonical SMILES for 2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile is CC1(C)CC(C(O)C#N)CC(C)(C)N1O.
What is the InChIKey of 2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile?
The InChIKey is HHZXZFUSWNFAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2)5-8(9(14)7-12)6-11(3,4)13(10)15/h8-9,14-15H,5-6H2,1-4H3.
What are the key properties of 2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile?
2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile has a molecular weight of 212.29 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetonitrile is sourced from PubChem (CID 23550173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).