methyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid

C11H17BN2O2 — CID 18713305

IUPACmethyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid
SMILESCB(O)N1CCCC(Oc2cccnc2)C1
InChIInChI=1S/C11H17BN2O2/c1-12(15)14-7-3-5-11(9-14)16-10-4-2-6-13-8-10/h2,4,6,8,11,15H,3,5,7,9H2,1H3
InChIKeyLQSVILVEDZYDED-UHFFFAOYSA-N
MW220.08 g/mol
LogP1.04
Rot. Bonds3

About methyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid

methyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid (PubChem CID 18713305) has the molecular formula C11H17BN2O2 and a molecular weight of 220.08 g/mol. Its IUPAC name is methyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid.

Molecular Properties

Compound Namemethyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid
PubChem CID18713305
Molecular FormulaC11H17BN2O2
Molecular Weight220.08 g/mol
Exact Mass220.14
IUPAC Namemethyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid
SMILESCB(O)N1CCCC(Oc2cccnc2)C1
InChIInChI=1S/C11H17BN2O2/c1-12(15)14-7-3-5-11(9-14)16-10-4-2-6-13-8-10/h2,4,6,8,11,15H,3,5,7,9H2,1H3
InChIKeyLQSVILVEDZYDED-UHFFFAOYSA-N
XLogP1.04
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid?
The IUPAC name of methyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid (CID 18713305) is methyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid.
What is the SMILES notation for methyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid?
The canonical SMILES for methyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid is CB(O)N1CCCC(Oc2cccnc2)C1.
What is the InChIKey of methyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid?
The InChIKey is LQSVILVEDZYDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BN2O2/c1-12(15)14-7-3-5-11(9-14)16-10-4-2-6-13-8-10/h2,4,6,8,11,15H,3,5,7,9H2,1H3.
What are the key properties of methyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid?
methyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid has a molecular weight of 220.08 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid is sourced from PubChem (CID 18713305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).