2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile

C13H16N2O2 — CID 79833363

IUPAC2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCOC(CO)C1
InChIInChI=1S/C13H16N2O2/c14-7-11-3-1-2-4-12(11)8-15-5-6-17-13(9-15)10-16/h1-4,13,16H,5-6,8-10H2
InChIKeyBFLUCAKADKZKOY-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.75
Rot. Bonds3

About 2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile

2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile (PubChem CID 79833363) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile
PubChem CID79833363
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCOC(CO)C1
InChIInChI=1S/C13H16N2O2/c14-7-11-3-1-2-4-12(11)8-15-5-6-17-13(9-15)10-16/h1-4,13,16H,5-6,8-10H2
InChIKeyBFLUCAKADKZKOY-UHFFFAOYSA-N
XLogP0.75
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
2-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86311278
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
2-(aziridin-1-ylmethyl)benzonitrile
CID 102051024
methyl 2-[4-[(3-cyano-2-fluorophenyl)methyl]morpholin-2-yl]acetate
CID 103886154
2-fluoro-3-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzenecarbothioamide
CID 107115660
[4-[(2,4-dinitrophenyl)methyl]morpholin-2-yl]methanol
CID 81207931
2-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 51172922
4-amino-5-chloro-N-[[4-[(2-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 3087006
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300
[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol
CID 91648632
[4-[(4-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 79833713

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile?
The IUPAC name of 2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile (CID 79833363) is 2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile is N#Cc1ccccc1CN1CCOC(CO)C1.
What is the InChIKey of 2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile?
The InChIKey is BFLUCAKADKZKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-7-11-3-1-2-4-12(11)8-15-5-6-17-13(9-15)10-16/h1-4,13,16H,5-6,8-10H2.
What are the key properties of 2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile?
2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile has a molecular weight of 232.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzonitrile is sourced from PubChem (CID 79833363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).