(2-piperidin-1-ylphenyl)boronic acid

C11H16BNO2 — CID 4192666

IUPAC(2-piperidin-1-ylphenyl)boronic acid
SMILESOB(O)c1ccccc1N1CCCCC1
InChIInChI=1S/C11H16BNO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7,14-15H,1,4-5,8-9H2
InChIKeyNPZUBLWFOBRQAV-UHFFFAOYSA-N
MW205.07 g/mol
LogP0.36
Rot. Bonds2

About (2-piperidin-1-ylphenyl)boronic acid

(2-piperidin-1-ylphenyl)boronic acid (PubChem CID 4192666) has the molecular formula C11H16BNO2 and a molecular weight of 205.07 g/mol. Its IUPAC name is (2-piperidin-1-ylphenyl)boronic acid.

Molecular Properties

Compound Name(2-piperidin-1-ylphenyl)boronic acid
PubChem CID4192666
Molecular FormulaC11H16BNO2
Molecular Weight205.07 g/mol
Exact Mass205.13
IUPAC Name(2-piperidin-1-ylphenyl)boronic acid
SMILESOB(O)c1ccccc1N1CCCCC1
InChIInChI=1S/C11H16BNO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7,14-15H,1,4-5,8-9H2
InChIKeyNPZUBLWFOBRQAV-UHFFFAOYSA-N
XLogP0.36
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-piperidin-1-ylphenyl)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

methanamine;2-pyrrolidin-1-ylaniline
CID 143665772
(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
CID 147882960
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
2-(azepan-1-yl)benzenesulfinic acid
CID 174570733
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
1-(2-methylsulfanylphenyl)pyrrolidine
CID 67751478
[2-(piperidine-1-carbonyl)phenyl]boronic acid
CID 90477220
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine
CID 50879631
1-[2-(2-methylphenyl)phenyl]pyrrolidine
CID 168513578

Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-ylphenyl)boronic acid?
The IUPAC name of (2-piperidin-1-ylphenyl)boronic acid (CID 4192666) is (2-piperidin-1-ylphenyl)boronic acid.
What is the SMILES notation for (2-piperidin-1-ylphenyl)boronic acid?
The canonical SMILES for (2-piperidin-1-ylphenyl)boronic acid is OB(O)c1ccccc1N1CCCCC1.
What is the InChIKey of (2-piperidin-1-ylphenyl)boronic acid?
The InChIKey is NPZUBLWFOBRQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7,14-15H,1,4-5,8-9H2.
What are the key properties of (2-piperidin-1-ylphenyl)boronic acid?
(2-piperidin-1-ylphenyl)boronic acid has a molecular weight of 205.07 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-ylphenyl)boronic acid is sourced from PubChem (CID 4192666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).