4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile

C14H18N2O3 — CID 3746908

IUPAC4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
SMILESN#Cc1ccc(OCC(O)CN2CCOCC2)cc1
InChIInChI=1S/C14H18N2O3/c15-9-12-1-3-14(4-2-12)19-11-13(17)10-16-5-7-18-8-6-16/h1-4,13,17H,5-8,10-11H2
InChIKeyPRKJLXYIPKTJFN-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.63
Rot. Bonds5

About 4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile

4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile (PubChem CID 3746908) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile.

Molecular Properties

Compound Name4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
PubChem CID3746908
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
SMILESN#Cc1ccc(OCC(O)CN2CCOCC2)cc1
InChIInChI=1S/C14H18N2O3/c15-9-12-1-3-14(4-2-12)19-11-13(17)10-16-5-7-18-8-6-16/h1-4,13,17H,5-8,10-11H2
InChIKeyPRKJLXYIPKTJFN-UHFFFAOYSA-N
XLogP0.63
TPSA65.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile
CID 3133121
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
4-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzonitrile
CID 31061142
1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 109416651
1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
CID 2999825
4-[(2R)-2-hydroxy-3-[4-(piperidine-1-carbonyl)piperazin-1-yl]propoxy]benzonitrile
CID 31034383
4-[(2S)-2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]benzonitrile
CID 7874330
4-[2-hydroxy-3-(2-phenylmorpholin-4-yl)propoxy]benzonitrile
CID 110885577
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024
4-[3-(4-ethoxypiperidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 110901888
4-[(2S)-3-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-2-hydroxypropoxy]benzonitrile
CID 95322904

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile?
The IUPAC name of 4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile (CID 3746908) is 4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile.
What is the SMILES notation for 4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile?
The canonical SMILES for 4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile is N#Cc1ccc(OCC(O)CN2CCOCC2)cc1.
What is the InChIKey of 4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile?
The InChIKey is PRKJLXYIPKTJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-9-12-1-3-14(4-2-12)19-11-13(17)10-16-5-7-18-8-6-16/h1-4,13,17H,5-8,10-11H2.
What are the key properties of 4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile?
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile has a molecular weight of 262.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile is sourced from PubChem (CID 3746908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).