(2-piperidin-1-ylpyrimidin-5-yl)boronic acid

C9H14BN3O2 — CID 46739764

IUPAC(2-piperidin-1-ylpyrimidin-5-yl)boronic acid
SMILESOB(O)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C9H14BN3O2/c14-10(15)8-6-11-9(12-7-8)13-4-2-1-3-5-13/h6-7,14-15H,1-5H2
InChIKeyJFPMJXGMHDIKLK-UHFFFAOYSA-N
MW207.04 g/mol
LogP-0.85
Rot. Bonds2

About (2-piperidin-1-ylpyrimidin-5-yl)boronic acid

(2-piperidin-1-ylpyrimidin-5-yl)boronic acid (PubChem CID 46739764) has the molecular formula C9H14BN3O2 and a molecular weight of 207.04 g/mol. Its IUPAC name is (2-piperidin-1-ylpyrimidin-5-yl)boronic acid.

Molecular Properties

Compound Name(2-piperidin-1-ylpyrimidin-5-yl)boronic acid
PubChem CID46739764
Molecular FormulaC9H14BN3O2
Molecular Weight207.04 g/mol
Exact Mass207.12
IUPAC Name(2-piperidin-1-ylpyrimidin-5-yl)boronic acid
SMILESOB(O)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C9H14BN3O2/c14-10(15)8-6-11-9(12-7-8)13-4-2-1-3-5-13/h6-7,14-15H,1-5H2
InChIKeyJFPMJXGMHDIKLK-UHFFFAOYSA-N
XLogP-0.85
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.04
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-ylpyrimidin-5-yl)boronic acid?
The IUPAC name of (2-piperidin-1-ylpyrimidin-5-yl)boronic acid (CID 46739764) is (2-piperidin-1-ylpyrimidin-5-yl)boronic acid.
What is the SMILES notation for (2-piperidin-1-ylpyrimidin-5-yl)boronic acid?
The canonical SMILES for (2-piperidin-1-ylpyrimidin-5-yl)boronic acid is OB(O)c1cnc(N2CCCCC2)nc1.
What is the InChIKey of (2-piperidin-1-ylpyrimidin-5-yl)boronic acid?
The InChIKey is JFPMJXGMHDIKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BN3O2/c14-10(15)8-6-11-9(12-7-8)13-4-2-1-3-5-13/h6-7,14-15H,1-5H2.
What are the key properties of (2-piperidin-1-ylpyrimidin-5-yl)boronic acid?
(2-piperidin-1-ylpyrimidin-5-yl)boronic acid has a molecular weight of 207.04 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-ylpyrimidin-5-yl)boronic acid is sourced from PubChem (CID 46739764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).