5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine

C14H21BrN2 — CID 107080495

IUPAC5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine
SMILESCCC1CCCN(c2ncc(CBr)cc2C)C1
InChIInChI=1S/C14H21BrN2/c1-3-12-5-4-6-17(10-12)14-11(2)7-13(8-15)9-16-14/h7,9,12H,3-6,8,10H2,1-2H3
InChIKeyJHPSIVGLMKLUJW-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.91
Rot. Bonds3

About 5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine

5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine (PubChem CID 107080495) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine
PubChem CID107080495
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine
SMILESCCC1CCCN(c2ncc(CBr)cc2C)C1
InChIInChI=1S/C14H21BrN2/c1-3-12-5-4-6-17(10-12)14-11(2)7-13(8-15)9-16-14/h7,9,12H,3-6,8,10H2,1-2H3
InChIKeyJHPSIVGLMKLUJW-UHFFFAOYSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-3-methyl-2-(3-propylpyrrolidin-1-yl)pyridine
CID 107085109
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethyl-1-methylpiperazine
CID 107083540
5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine
CID 107080841
[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80635459
4-[5-(bromomethyl)-3-methyl-2-pyridinyl]-2-ethylmorpholine
CID 107080311
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
CID 80630100
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 107083279
3-[5-(bromomethyl)-3-methyl-2-pyridinyl]-3-azabicyclo[3.3.1]nonane
CID 114196631
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79719028
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-4,4-dimethylazepane
CID 107084111
1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80634462
[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
CID 80631004

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine?
The IUPAC name of 5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine (CID 107080495) is 5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine?
The canonical SMILES for 5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine is CCC1CCCN(c2ncc(CBr)cc2C)C1.
What is the InChIKey of 5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine?
The InChIKey is JHPSIVGLMKLUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-3-12-5-4-6-17(10-12)14-11(2)7-13(8-15)9-16-14/h7,9,12H,3-6,8,10H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine?
5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine has a molecular weight of 297.24 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine is sourced from PubChem (CID 107080495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).