1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine

C15H24BrN3 — CID 104802897

IUPAC1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
SMILESCC(C)(C(N)Cc1ccc(Br)cn1)N1CCCCC1
InChIInChI=1S/C15H24BrN3/c1-15(2,19-8-4-3-5-9-19)14(17)10-13-7-6-12(16)11-18-13/h6-7,11,14H,3-5,8-10,17H2,1-2H3
InChIKeyMUMOEHWQHCEBCO-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.98
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine

1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine (PubChem CID 104802897) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
PubChem CID104802897
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
SMILESCC(C)(C(N)Cc1ccc(Br)cn1)N1CCCCC1
InChIInChI=1S/C15H24BrN3/c1-15(2,19-8-4-3-5-9-19)14(17)10-13-7-6-12(16)11-18-13/h6-7,11,14H,3-5,8-10,17H2,1-2H3
InChIKeyMUMOEHWQHCEBCO-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 104802941
3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 82876806
1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine
CID 116760732
2-(5-bromo-2-pyridinyl)-1-cyclohexylethanamine
CID 104801170
3-(azepan-1-yl)-1-(4-ethylphenyl)-3-methylbutan-2-amine
CID 79050927
3-(azepan-1-yl)-1-(2,6-dichlorophenyl)-3-methylbutan-2-amine
CID 79050778
3-(azepan-1-yl)-1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 79051085
1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 104803081
1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79045476
5-bromo-2-[2-(chloromethyl)-3,3-dimethylbutyl]pyridine
CID 104813393
2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine
CID 105036053
3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79823502

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine (CID 104802897) is 1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine is CC(C)(C(N)Cc1ccc(Br)cn1)N1CCCCC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The InChIKey is MUMOEHWQHCEBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-15(2,19-8-4-3-5-9-19)14(17)10-13-7-6-12(16)11-18-13/h6-7,11,14H,3-5,8-10,17H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 104802897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).