4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile

C13H16N2O2 — CID 43288546

IUPAC4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile
SMILESN#Cc1ccc(C(O)CN2CCOCC2)cc1
InChIInChI=1S/C13H16N2O2/c14-9-11-1-3-12(4-2-11)13(16)10-15-5-7-17-8-6-15/h1-4,13,16H,5-8,10H2
InChIKeyBFYYMZACTGNLAV-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.92
Rot. Bonds3

About 4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile

4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile (PubChem CID 43288546) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile.

Molecular Properties

Compound Name4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile
PubChem CID43288546
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile
SMILESN#Cc1ccc(C(O)CN2CCOCC2)cc1
InChIInChI=1S/C13H16N2O2/c14-9-11-1-3-12(4-2-11)13(16)10-15-5-7-17-8-6-15/h1-4,13,16H,5-8,10H2
InChIKeyBFYYMZACTGNLAV-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide
CID 168654163
4-[1-hydroxy-2-[4-(methoxymethyl)piperidin-1-yl]ethyl]benzonitrile
CID 63971727
4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile
CID 3133121
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
(1R)-1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 1229946
1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 3070078
4-(1-hydroxy-2-morpholin-4-ylethyl)-3-nitrobenzonitrile
CID 175150111
4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride
CID 139301134
4-[1-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzonitrile
CID 43590204

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile?
The IUPAC name of 4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile (CID 43288546) is 4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile.
What is the SMILES notation for 4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile?
The canonical SMILES for 4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile is N#Cc1ccc(C(O)CN2CCOCC2)cc1.
What is the InChIKey of 4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile?
The InChIKey is BFYYMZACTGNLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-9-11-1-3-12(4-2-11)13(16)10-15-5-7-17-8-6-15/h1-4,13,16H,5-8,10H2.
What are the key properties of 4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile?
4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile has a molecular weight of 232.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile is sourced from PubChem (CID 43288546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).