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

C15H24BrN3 — CID 104802895

IUPAC1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
SMILESCC(C)(C(N)Cc1cncc(Br)c1)N1CCCCC1
InChIInChI=1S/C15H24BrN3/c1-15(2,19-6-4-3-5-7-19)14(17)9-12-8-13(16)11-18-10-12/h8,10-11,14H,3-7,9,17H2,1-2H3
InChIKeyVKUGSMCWEGXBJD-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.98
Rot. Bonds4

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

1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine (PubChem CID 104802895) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
PubChem CID104802895
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
SMILESCC(C)(C(N)Cc1cncc(Br)c1)N1CCCCC1
InChIInChI=1S/C15H24BrN3/c1-15(2,19-6-4-3-5-7-19)14(17)9-12-8-13(16)11-18-10-12/h8,10-11,14H,3-7,9,17H2,1-2H3
InChIKeyVKUGSMCWEGXBJD-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azepan-1-yl)-1-(5-bromo-3-pyridinyl)-N,3-dimethylbutan-2-amine
CID 104802920
[1-(5-bromo-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241024
1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
CID 104802967
1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 104802897
1-(3,5-dimethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056550
[1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine
CID 105240025
3-(azepan-1-yl)-1-(4-ethylphenyl)-3-methylbutan-2-amine
CID 79050927
2-(5-bromo-3-pyridinyl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
CID 104803043
1-(3-chloro-4-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79045476
3-(azepan-1-yl)-1-(3-fluorophenyl)-3-methylbutan-2-amine
CID 79051816
3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 112643281
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine (CID 104802895) is 1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine is CC(C)(C(N)Cc1cncc(Br)c1)N1CCCCC1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
The InChIKey is VKUGSMCWEGXBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-15(2,19-6-4-3-5-7-19)14(17)9-12-8-13(16)11-18-10-12/h8,10-11,14H,3-7,9,17H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine?
1-(5-bromo-3-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-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 104802895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).