[4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid

C15H24BNO4 — CID 107394501

IUPAC[4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid
SMILESCOC1(C)CCCN(CCOc2ccc(B(O)O)cc2)C1
InChIInChI=1S/C15H24BNO4/c1-15(20-2)8-3-9-17(12-15)10-11-21-14-6-4-13(5-7-14)16(18)19/h4-7,18-19H,3,8-12H2,1-2H3
InChIKeyLYKNJHOEBQFACJ-UHFFFAOYSA-N
MW293.17 g/mol
LogP0.25
Rot. Bonds6

About [4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid

[4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid (PubChem CID 107394501) has the molecular formula C15H24BNO4 and a molecular weight of 293.17 g/mol. Its IUPAC name is [4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid
PubChem CID107394501
Molecular FormulaC15H24BNO4
Molecular Weight293.17 g/mol
Exact Mass293.18
IUPAC Name[4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid
SMILESCOC1(C)CCCN(CCOc2ccc(B(O)O)cc2)C1
InChIInChI=1S/C15H24BNO4/c1-15(20-2)8-3-9-17(12-15)10-11-21-14-6-4-13(5-7-14)16(18)19/h4-7,18-19H,3,8-12H2,1-2H3
InChIKeyLYKNJHOEBQFACJ-UHFFFAOYSA-N
XLogP0.25
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]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

[4-[2-(4-ethyl-4-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid
CID 63159556
[3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 107394509
1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107395570
3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 115873813
2-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]benzonitrile
CID 107392613
[4-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]phenyl]boronic acid
CID 63972546
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
[4-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]phenyl]boronic acid
CID 63634672
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 63136652
3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine
CID 121418378
[4-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethoxy]phenyl]boronic acid
CID 63164732
3,3-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
CID 91162955

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid?
The IUPAC name of [4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid (CID 107394501) is [4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid.
What is the SMILES notation for [4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid?
The canonical SMILES for [4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid is COC1(C)CCCN(CCOc2ccc(B(O)O)cc2)C1.
What is the InChIKey of [4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid?
The InChIKey is LYKNJHOEBQFACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BNO4/c1-15(20-2)8-3-9-17(12-15)10-11-21-14-6-4-13(5-7-14)16(18)19/h4-7,18-19H,3,8-12H2,1-2H3.
What are the key properties of [4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid?
[4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid has a molecular weight of 293.17 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]boronic acid is sourced from PubChem (CID 107394501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).