4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile

C8H14N2O — CID 586149

IUPAC4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile
SMILESCC1CN(C)CCC1(O)C#N
InChIInChI=1S/C8H14N2O/c1-7-5-10(2)4-3-8(7,11)6-9/h7,11H,3-5H2,1-2H3
InChIKeyWUTKQVLGOCYOGF-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.21
Rot. Bonds

About 4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile

4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile (PubChem CID 586149) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile
PubChem CID586149
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile
SMILESCC1CN(C)CCC1(O)C#N
InChIInChI=1S/C8H14N2O/c1-7-5-10(2)4-3-8(7,11)6-9/h7,11H,3-5H2,1-2H3
InChIKeyWUTKQVLGOCYOGF-UHFFFAOYSA-N
XLogP0.21
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-1,2,5-trimethylpiperidine-4-carbonitrile
CID 592666
1-Butyl-4-hydroxypiperidine-4-carbonitrile
CID 2728730
1-Methyl-4-isopropylpiperid-4-ol
CID 23395568
4-Hydroxy-1-methylpiperidine-4-carbonitrile
CID 284053
1,3,4-Trimethyl-5-cyanopiperidine-3,4-diol
CID 12643595
1,3,4-Tri-methylpiperid-4-ol
CID 129804156
3,3,3-Trifluoro-2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]propanenitrile
CID 103367980
2-[[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]pentanedinitrile
CID 109885369
1-Tert-butyl-4-hydroxy-3-methylpiperidine-4-carbonitrile
CID 46498289
1-Tert-butyl-4-hydroxypiperidine-4-carbonitrile
CID 4561497
1-Ethyl-4-hydroxypiperidine-4-carbonitrile
CID 43436600
4-Hydroxy-1-propan-2-ylpiperidine-4-carbonitrile
CID 43436618

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile?
The IUPAC name of 4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile (CID 586149) is 4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile?
The canonical SMILES for 4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile is CC1CN(C)CCC1(O)C#N.
What is the InChIKey of 4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile?
The InChIKey is WUTKQVLGOCYOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7-5-10(2)4-3-8(7,11)6-9/h7,11H,3-5H2,1-2H3.
What are the key properties of 4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile?
4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-dimethylpiperidine-4-carbonitrile is sourced from PubChem (CID 586149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).