3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine

C12H16Br2N2O — CID 107394464

IUPAC3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
SMILESCOC1(C)CCCN(c2ncc(Br)cc2Br)C1
InChIInChI=1S/C12H16Br2N2O/c1-12(17-2)4-3-5-16(8-12)11-10(14)6-9(13)7-15-11/h6-7H,3-5,8H2,1-2H3
InChIKeySLSOMCAGAPSTOI-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.61
Rot. Bonds2

About 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine

3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine (PubChem CID 107394464) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
PubChem CID107394464
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
SMILESCOC1(C)CCCN(c2ncc(Br)cc2Br)C1
InChIInChI=1S/C12H16Br2N2O/c1-12(17-2)4-3-5-16(8-12)11-10(14)6-9(13)7-15-11/h6-7H,3-5,8H2,1-2H3
InChIKeySLSOMCAGAPSTOI-UHFFFAOYSA-N
XLogP3.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 107393029
1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 107395388
5-chloro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridin-3-amine
CID 107390515
5-fluoro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114034557
6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine
CID 107390554
5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 114072876
6-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridin-3-amine
CID 107390510
3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine
CID 114837131
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-2-amine
CID 107396385
8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane
CID 113413836
[5-fluoro-4-(3-methoxy-3-methylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 107396489
N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 107395309

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine?
The IUPAC name of 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine (CID 107394464) is 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine is COC1(C)CCCN(c2ncc(Br)cc2Br)C1.
What is the InChIKey of 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine?
The InChIKey is SLSOMCAGAPSTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-12(17-2)4-3-5-16(8-12)11-10(14)6-9(13)7-15-11/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine?
3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine has a molecular weight of 364.08 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 107394464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).