1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile

C10H18N2O2 — CID 23390379

IUPAC1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile
SMILESCC1(C)CC(O)(C#N)CC(C)(C)N1O
InChIInChI=1S/C10H18N2O2/c1-8(2)5-10(13,7-11)6-9(3,4)12(8)14/h13-14H,5-6H2,1-4H3
InChIKeyVREYEUFQVKYNBT-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.28
Rot. Bonds

About 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile

1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile (PubChem CID 23390379) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile
PubChem CID23390379
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile
SMILESCC1(C)CC(O)(C#N)CC(C)(C)N1O
InChIInChI=1S/C10H18N2O2/c1-8(2)5-10(13,7-11)6-9(3,4)12(8)14/h13-14H,5-6H2,1-4H3
InChIKeyVREYEUFQVKYNBT-UHFFFAOYSA-N
XLogP1.28
TPSA67.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile?
The IUPAC name of 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile (CID 23390379) is 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile.
What is the SMILES notation for 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile?
The canonical SMILES for 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile is CC1(C)CC(O)(C#N)CC(C)(C)N1O.
What is the InChIKey of 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile?
The InChIKey is VREYEUFQVKYNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(2)5-10(13,7-11)6-9(3,4)12(8)14/h13-14H,5-6H2,1-4H3.
What are the key properties of 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile?
1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile has a molecular weight of 198.27 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxy-2,2,6,6-tetramethylpiperidine-4-carbonitrile is sourced from PubChem (CID 23390379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).