5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine

C12H17BrN2O — CID 61374151

IUPAC5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine
SMILESCCOC1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C12H17BrN2O/c1-2-16-11-5-7-15(8-6-11)12-4-3-10(13)9-14-12/h3-4,9,11H,2,5-8H2,1H3
InChIKeyAUUXVMZMXPDKJR-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.85
Rot. Bonds3

About 5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine

5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine (PubChem CID 61374151) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine
PubChem CID61374151
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine
SMILESCCOC1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C12H17BrN2O/c1-2-16-11-5-7-15(8-6-11)12-4-3-10(13)9-14-12/h3-4,9,11H,2,5-8H2,1H3
InChIKeyAUUXVMZMXPDKJR-UHFFFAOYSA-N
XLogP2.85
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine
CID 130815994
2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxyethanamine
CID 82692276
6-(4-ethoxypiperidin-1-yl)pyridin-3-amine
CID 61220344
6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde
CID 80638673
1-(5-bromo-2-pyridinyl)piperidin-4-ol;[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-trimethylsilane
CID 67871907
N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62282119
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265
1-(5-bromo-2-pyridinyl)-4-methylazepane
CID 55249997
2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700909
5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
5-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63464475
1-(5-bromo-2-pyridinyl)azocane
CID 55137358

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine?
The IUPAC name of 5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine (CID 61374151) is 5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine?
The canonical SMILES for 5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine is CCOC1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine?
The InChIKey is AUUXVMZMXPDKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-2-16-11-5-7-15(8-6-11)12-4-3-10(13)9-14-12/h3-4,9,11H,2,5-8H2,1H3.
What are the key properties of 5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine?
5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine has a molecular weight of 285.18 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine is sourced from PubChem (CID 61374151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).