4-bromo-2-piperidin-4-ylpyridine

C10H13BrN2 — CID 76848192

IUPAC4-bromo-2-piperidin-4-ylpyridine
SMILESBrc1ccnc(C2CCNCC2)c1
InChIInChI=1S/C10H13BrN2/c11-9-3-6-13-10(7-9)8-1-4-12-5-2-8/h3,6-8,12H,1-2,4-5H2
InChIKeyOLDHZQQOCYDAPI-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.31
Rot. Bonds1

About 4-bromo-2-piperidin-4-ylpyridine

4-bromo-2-piperidin-4-ylpyridine (PubChem CID 76848192) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 4-bromo-2-piperidin-4-ylpyridine.

Molecular Properties

Compound Name4-bromo-2-piperidin-4-ylpyridine
PubChem CID76848192
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name4-bromo-2-piperidin-4-ylpyridine
SMILESBrc1ccnc(C2CCNCC2)c1
InChIInChI=1S/C10H13BrN2/c11-9-3-6-13-10(7-9)8-1-4-12-5-2-8/h3,6-8,12H,1-2,4-5H2
InChIKeyOLDHZQQOCYDAPI-UHFFFAOYSA-N
XLogP2.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-piperidin-4-ylpyridine?
The IUPAC name of 4-bromo-2-piperidin-4-ylpyridine (CID 76848192) is 4-bromo-2-piperidin-4-ylpyridine.
What is the SMILES notation for 4-bromo-2-piperidin-4-ylpyridine?
The canonical SMILES for 4-bromo-2-piperidin-4-ylpyridine is Brc1ccnc(C2CCNCC2)c1.
What is the InChIKey of 4-bromo-2-piperidin-4-ylpyridine?
The InChIKey is OLDHZQQOCYDAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-9-3-6-13-10(7-9)8-1-4-12-5-2-8/h3,6-8,12H,1-2,4-5H2.
What are the key properties of 4-bromo-2-piperidin-4-ylpyridine?
4-bromo-2-piperidin-4-ylpyridine has a molecular weight of 241.13 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-piperidin-4-ylpyridine is sourced from PubChem (CID 76848192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).