[3-(morpholin-4-ylmethyl)phenyl]boronic acid

C11H16BNO3 — CID 11031409

IUPAC[3-(morpholin-4-ylmethyl)phenyl]boronic acid
SMILESOB(O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C11H16BNO3/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13/h1-3,8,14-15H,4-7,9H2
InChIKeyVTSDPGUSDVMXDN-UHFFFAOYSA-N
MW221.07 g/mol
LogP-0.80
Rot. Bonds3

About [3-(morpholin-4-ylmethyl)phenyl]boronic acid

[3-(morpholin-4-ylmethyl)phenyl]boronic acid (PubChem CID 11031409) has the molecular formula C11H16BNO3 and a molecular weight of 221.07 g/mol. Its IUPAC name is [3-(morpholin-4-ylmethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(morpholin-4-ylmethyl)phenyl]boronic acid
PubChem CID11031409
Molecular FormulaC11H16BNO3
Molecular Weight221.07 g/mol
Exact Mass221.12
IUPAC Name[3-(morpholin-4-ylmethyl)phenyl]boronic acid
SMILESOB(O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C11H16BNO3/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13/h1-3,8,14-15H,4-7,9H2
InChIKeyVTSDPGUSDVMXDN-UHFFFAOYSA-N
XLogP-0.80
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [3-(morpholin-4-ylmethyl)phenyl]boronic acid 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

[3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid
CID 54971146
[3-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]boronic acid
CID 20651358
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid
CID 155789739
[3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]phenyl]boronic acid
CID 42609723
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
[5-(morpholin-4-ylmethyl)furan-3-yl]boronic acid
CID 71065996

Frequently Asked Questions

What is the IUPAC name of [3-(morpholin-4-ylmethyl)phenyl]boronic acid?
The IUPAC name of [3-(morpholin-4-ylmethyl)phenyl]boronic acid (CID 11031409) is [3-(morpholin-4-ylmethyl)phenyl]boronic acid.
What is the SMILES notation for [3-(morpholin-4-ylmethyl)phenyl]boronic acid?
The canonical SMILES for [3-(morpholin-4-ylmethyl)phenyl]boronic acid is OB(O)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of [3-(morpholin-4-ylmethyl)phenyl]boronic acid?
The InChIKey is VTSDPGUSDVMXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO3/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13/h1-3,8,14-15H,4-7,9H2.
What are the key properties of [3-(morpholin-4-ylmethyl)phenyl]boronic acid?
[3-(morpholin-4-ylmethyl)phenyl]boronic acid has a molecular weight of 221.07 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholin-4-ylmethyl)phenyl]boronic acid is sourced from PubChem (CID 11031409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).