5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine

C14H22BrN3O — CID 75379547

IUPAC5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine
SMILESCOC1CCN(CCNc2ncc(Br)cc2C)CC1
InChIInChI=1S/C14H22BrN3O/c1-11-9-12(15)10-17-14(11)16-5-8-18-6-3-13(19-2)4-7-18/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyJHLCFWFDEJXZKQ-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.68
Rot. Bonds5

About 5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine

5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine (PubChem CID 75379547) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine
PubChem CID75379547
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine
SMILESCOC1CCN(CCNc2ncc(Br)cc2C)CC1
InChIInChI=1S/C14H22BrN3O/c1-11-9-12(15)10-17-14(11)16-5-8-18-6-3-13(19-2)4-7-18/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyJHLCFWFDEJXZKQ-UHFFFAOYSA-N
XLogP2.68
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
1-(3-Bromopyridin-2-yl)piperazine
CID 13298529
2-Acetylamino-5-bromo-3-methylpyridine
CID 901948
5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine
CID 75379535
5-Bromo-(2-morpholinoethylamino)pyridine
CID 23438259
2-Acetylamino-3-bromo-5-methylpyridine
CID 15179564
1-[3-Bromo-5-(trifluoromethyl)-2-pyridyl]piperazine hydrochloride
CID 166485525
1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine
CID 118263671
1-(3-Bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263675
[1-(5-Bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-yl]methanol
CID 118263689
1-(5-Bromo-3-methanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263690
(3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol
CID 118263692

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine (CID 75379547) is 5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine is COC1CCN(CCNc2ncc(Br)cc2C)CC1.
What is the InChIKey of 5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine?
The InChIKey is JHLCFWFDEJXZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-11-9-12(15)10-17-14(11)16-5-8-18-6-3-13(19-2)4-7-18/h9-10,13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine?
5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine has a molecular weight of 328.25 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 75379547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).