2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile

C12H15N2O2+ — CID 5052155

IUPAC2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile
SMILESN#CC(c1ccc(O)cc1)[NH+]1CCOCC1
InChIInChI=1S/C12H14N2O2/c13-9-12(14-5-7-16-8-6-14)10-1-3-11(15)4-2-10/h1-4,12,15H,5-8H2/p+1
InChIKeyALBNAZLYPCNYDM-UHFFFAOYSA-O
MW219.26 g/mol
LogP-0.13
Rot. Bonds2

About 2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile

2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile (PubChem CID 5052155) has the molecular formula C12H15N2O2+ and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile
PubChem CID5052155
Molecular FormulaC12H15N2O2+
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile
SMILESN#CC(c1ccc(O)cc1)[NH+]1CCOCC1
InChIInChI=1S/C12H14N2O2/c13-9-12(14-5-7-16-8-6-14)10-1-3-11(15)4-2-10/h1-4,12,15H,5-8H2/p+1
InChIKeyALBNAZLYPCNYDM-UHFFFAOYSA-O
XLogP-0.13
TPSA57.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile 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

(2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile
CID 9179415
(2R)-2-(4-hydroxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetonitrile
CID 9106558
(2S)-2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile
CID 6941822
(2R)-2-[4-[(R)-cyano-(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 6968452
4-(morpholin-4-ium-4-ylmethyl)phenol
CID 6943124
2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817645
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
CID 703306
4-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]phenol
CID 7071990
(2R)-2-chloro-2-[(R)-morpholin-4-ium-4-yl(phenyl)methyl]butanenitrile
CID 7702142
4-[(R)-amino(oxan-4-yl)methyl]phenol
CID 131289814
cyanic acid;4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 68900127
2-(4-acetylpiperazin-1-yl)-2-(4-hydroxyphenyl)acetonitrile
CID 84757647

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile?
The IUPAC name of 2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile (CID 5052155) is 2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile is N#CC(c1ccc(O)cc1)[NH+]1CCOCC1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile?
The InChIKey is ALBNAZLYPCNYDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14N2O2/c13-9-12(14-5-7-16-8-6-14)10-1-3-11(15)4-2-10/h1-4,12,15H,5-8H2/p+1.
What are the key properties of 2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile?
2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile has a molecular weight of 219.26 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile is sourced from PubChem (CID 5052155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).