[1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine

C13H20BrN3O — CID 112622897

IUPAC[1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(c2ncc(Br)cc2C)C(CN)C1
InChIInChI=1S/C13H20BrN3O/c1-9-5-10(14)8-16-13(9)17-4-3-12(18-2)6-11(17)7-15/h5,8,11-12H,3-4,6-7,15H2,1-2H3
InChIKeyVZNMMKPTJINZEZ-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.10
Rot. Bonds3

About [1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine

[1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine (PubChem CID 112622897) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is [1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine
PubChem CID112622897
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name[1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(c2ncc(Br)cc2C)C(CN)C1
InChIInChI=1S/C13H20BrN3O/c1-9-5-10(14)8-16-13(9)17-4-3-12(18-2)6-11(17)7-15/h5,8,11-12H,3-4,6-7,15H2,1-2H3
InChIKeyVZNMMKPTJINZEZ-UHFFFAOYSA-N
XLogP2.10
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine
CID 112622846
[1-(5-chloropyrimidin-4-yl)-4-methoxypiperidin-2-yl]methanamine
CID 105370102
2-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
CID 79718017
[4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine
CID 115963930
[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine
CID 112622803
5-bromo-2-[2-(bromomethyl)piperidin-1-yl]-3-methylpyridine
CID 80676805
[4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine
CID 106504519
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanamine
CID 79717951
(4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 115963850
5-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-4-bromo-2-methylpyridazin-3-one
CID 114447138
[4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine
CID 112622870
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-methylpyridine
CID 79718453

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine (CID 112622897) is [1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine is COC1CCN(c2ncc(Br)cc2C)C(CN)C1.
What is the InChIKey of [1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is VZNMMKPTJINZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9-5-10(14)8-16-13(9)17-4-3-12(18-2)6-11(17)7-15/h5,8,11-12H,3-4,6-7,15H2,1-2H3.
What are the key properties of [1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine?
[1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 314.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 112622897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).