(4-piperidin-1-ylphenyl)boronic acid;hydrochloride

C11H17BClNO2 — CID 44754903

IUPAC(4-piperidin-1-ylphenyl)boronic acid;hydrochloride
SMILESCl.OB(O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H16BNO2.ClH/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13;/h4-7,14-15H,1-3,8-9H2;1H
InChIKeyXJTAVEWPXXNWGK-UHFFFAOYSA-N
MW241.53 g/mol
LogP0.78
Rot. Bonds2

About (4-piperidin-1-ylphenyl)boronic acid;hydrochloride

(4-piperidin-1-ylphenyl)boronic acid;hydrochloride (PubChem CID 44754903) has the molecular formula C11H17BClNO2 and a molecular weight of 241.53 g/mol. Its IUPAC name is (4-piperidin-1-ylphenyl)boronic acid;hydrochloride.

Molecular Properties

Compound Name(4-piperidin-1-ylphenyl)boronic acid;hydrochloride
PubChem CID44754903
Molecular FormulaC11H17BClNO2
Molecular Weight241.53 g/mol
Exact Mass241.10
IUPAC Name(4-piperidin-1-ylphenyl)boronic acid;hydrochloride
SMILESCl.OB(O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H16BNO2.ClH/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13;/h4-7,14-15H,1-3,8-9H2;1H
InChIKeyXJTAVEWPXXNWGK-UHFFFAOYSA-N
XLogP0.78
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.53
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethane;methanol;1-phenylpiperidine
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Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylphenyl)boronic acid;hydrochloride?
The IUPAC name of (4-piperidin-1-ylphenyl)boronic acid;hydrochloride (CID 44754903) is (4-piperidin-1-ylphenyl)boronic acid;hydrochloride.
What is the SMILES notation for (4-piperidin-1-ylphenyl)boronic acid;hydrochloride?
The canonical SMILES for (4-piperidin-1-ylphenyl)boronic acid;hydrochloride is Cl.OB(O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of (4-piperidin-1-ylphenyl)boronic acid;hydrochloride?
The InChIKey is XJTAVEWPXXNWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO2.ClH/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13;/h4-7,14-15H,1-3,8-9H2;1H.
What are the key properties of (4-piperidin-1-ylphenyl)boronic acid;hydrochloride?
(4-piperidin-1-ylphenyl)boronic acid;hydrochloride has a molecular weight of 241.53 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylphenyl)boronic acid;hydrochloride is sourced from PubChem (CID 44754903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).