4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile

C14H18N2O2 — CID 114776853

IUPAC4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile
SMILESCC1(C)CN(c2ccc(C#N)cc2)CC(CO)O1
InChIInChI=1S/C14H18N2O2/c1-14(2)10-16(8-13(9-17)18-14)12-5-3-11(7-15)4-6-12/h3-6,13,17H,8-10H2,1-2H3
InChIKeyAZXOJVHDHOGJFY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.53
Rot. Bonds2

About 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile

4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile (PubChem CID 114776853) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile
PubChem CID114776853
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile
SMILESCC1(C)CN(c2ccc(C#N)cc2)CC(CO)O1
InChIInChI=1S/C14H18N2O2/c1-14(2)10-16(8-13(9-17)18-14)12-5-3-11(7-15)4-6-12/h3-6,13,17H,8-10H2,1-2H3
InChIKeyAZXOJVHDHOGJFY-UHFFFAOYSA-N
XLogP1.53
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile
CID 128977436
4-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]benzonitrile
CID 114776845
3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile
CID 114776876
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde
CID 114777267
[4-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 104969843
[6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol
CID 114779409
2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol
CID 114777220
6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione
CID 114777203
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide
CID 114777104
4-[4-(hydroxymethyl)-2,2-dimethylpyrrolidin-1-yl]benzonitrile
CID 117018906
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-methylbenzaldehyde
CID 114054264
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 114777180

Frequently Asked Questions

What is the IUPAC name of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile?
The IUPAC name of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile (CID 114776853) is 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile.
What is the SMILES notation for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile?
The canonical SMILES for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile is CC1(C)CN(c2ccc(C#N)cc2)CC(CO)O1.
What is the InChIKey of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile?
The InChIKey is AZXOJVHDHOGJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2)10-16(8-13(9-17)18-14)12-5-3-11(7-15)4-6-12/h3-6,13,17H,8-10H2,1-2H3.
What are the key properties of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile?
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile is sourced from PubChem (CID 114776853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).