2-bromo-5-(piperidin-4-yloxymethyl)pyridine

C11H15BrN2O — CID 71636486

IUPAC2-bromo-5-(piperidin-4-yloxymethyl)pyridine
SMILESBrc1ccc(COC2CCNCC2)cn1
InChIInChI=1S/C11H15BrN2O/c12-11-2-1-9(7-14-11)8-15-10-3-5-13-6-4-10/h1-2,7,10,13H,3-6,8H2
InChIKeyHPRWWDJKMCRPGA-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.11
Rot. Bonds3

About 2-bromo-5-(piperidin-4-yloxymethyl)pyridine

2-bromo-5-(piperidin-4-yloxymethyl)pyridine (PubChem CID 71636486) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-bromo-5-(piperidin-4-yloxymethyl)pyridine.

Molecular Properties

Compound Name2-bromo-5-(piperidin-4-yloxymethyl)pyridine
PubChem CID71636486
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-bromo-5-(piperidin-4-yloxymethyl)pyridine
SMILESBrc1ccc(COC2CCNCC2)cn1
InChIInChI=1S/C11H15BrN2O/c12-11-2-1-9(7-14-11)8-15-10-3-5-13-6-4-10/h1-2,7,10,13H,3-6,8H2
InChIKeyHPRWWDJKMCRPGA-UHFFFAOYSA-N
XLogP2.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(piperidin-4-yloxymethyl)pyridine?
The IUPAC name of 2-bromo-5-(piperidin-4-yloxymethyl)pyridine (CID 71636486) is 2-bromo-5-(piperidin-4-yloxymethyl)pyridine.
What is the SMILES notation for 2-bromo-5-(piperidin-4-yloxymethyl)pyridine?
The canonical SMILES for 2-bromo-5-(piperidin-4-yloxymethyl)pyridine is Brc1ccc(COC2CCNCC2)cn1.
What is the InChIKey of 2-bromo-5-(piperidin-4-yloxymethyl)pyridine?
The InChIKey is HPRWWDJKMCRPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-11-2-1-9(7-14-11)8-15-10-3-5-13-6-4-10/h1-2,7,10,13H,3-6,8H2.
What are the key properties of 2-bromo-5-(piperidin-4-yloxymethyl)pyridine?
2-bromo-5-(piperidin-4-yloxymethyl)pyridine has a molecular weight of 271.16 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(piperidin-4-yloxymethyl)pyridine is sourced from PubChem (CID 71636486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).