3-bromo-4-piperidin-1-ylpyridine

C10H13BrN2 — CID 16740164

IUPAC3-bromo-4-piperidin-1-ylpyridine
SMILESBrc1cnccc1N1CCCCC1
InChIInChI=1S/C10H13BrN2/c11-9-8-12-5-4-10(9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKeyMGIXLQLBZGZUEN-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.83
Rot. Bonds1

About 3-bromo-4-piperidin-1-ylpyridine

3-bromo-4-piperidin-1-ylpyridine (PubChem CID 16740164) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 3-bromo-4-piperidin-1-ylpyridine.

Molecular Properties

Compound Name3-bromo-4-piperidin-1-ylpyridine
PubChem CID16740164
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name3-bromo-4-piperidin-1-ylpyridine
SMILESBrc1cnccc1N1CCCCC1
InChIInChI=1S/C10H13BrN2/c11-9-8-12-5-4-10(9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKeyMGIXLQLBZGZUEN-UHFFFAOYSA-N
XLogP2.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-piperidin-1-ylpyridine?
The IUPAC name of 3-bromo-4-piperidin-1-ylpyridine (CID 16740164) is 3-bromo-4-piperidin-1-ylpyridine.
What is the SMILES notation for 3-bromo-4-piperidin-1-ylpyridine?
The canonical SMILES for 3-bromo-4-piperidin-1-ylpyridine is Brc1cnccc1N1CCCCC1.
What is the InChIKey of 3-bromo-4-piperidin-1-ylpyridine?
The InChIKey is MGIXLQLBZGZUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-9-8-12-5-4-10(9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2.
What are the key properties of 3-bromo-4-piperidin-1-ylpyridine?
3-bromo-4-piperidin-1-ylpyridine has a molecular weight of 241.13 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-piperidin-1-ylpyridine is sourced from PubChem (CID 16740164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).