[1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine

C13H19Br2N3 — CID 103440485

IUPAC[1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(Cc2ncc(Br)cc2Br)C(CN)C1
InChIInChI=1S/C13H19Br2N3/c1-9-2-3-18(11(4-9)6-16)8-13-12(15)5-10(14)7-17-13/h5,7,9,11H,2-4,6,8,16H2,1H3
InChIKeySXBSNUBQTUUBSD-UHFFFAOYSA-N
MW377.12 g/mol
LogP3.17
Rot. Bonds3

About [1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine

[1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 103440485) has the molecular formula C13H19Br2N3 and a molecular weight of 377.12 g/mol. Its IUPAC name is [1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID103440485
Molecular FormulaC13H19Br2N3
Molecular Weight377.12 g/mol
Exact Mass374.99
IUPAC Name[1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(Cc2ncc(Br)cc2Br)C(CN)C1
InChIInChI=1S/C13H19Br2N3/c1-9-2-3-18(11(4-9)6-16)8-13-12(15)5-10(14)7-17-13/h5,7,9,11H,2-4,6,8,16H2,1H3
InChIKeySXBSNUBQTUUBSD-UHFFFAOYSA-N
XLogP3.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanamine
CID 103440446
[4-methyl-1-(pyrimidin-4-ylmethyl)piperidin-2-yl]methanamine
CID 103440531
[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440793
[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103441749
[4-methyl-1-(quinolin-4-ylmethyl)piperidin-2-yl]methanamine
CID 103440529
(2R)-1-[(3,5-dibromo-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 122038436
[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440770
2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol
CID 103440726
[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine
CID 103440378
4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol
CID 107692148
[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440543
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 103440567

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine (CID 103440485) is [1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine is CC1CCN(Cc2ncc(Br)cc2Br)C(CN)C1.
What is the InChIKey of [1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is SXBSNUBQTUUBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2N3/c1-9-2-3-18(11(4-9)6-16)8-13-12(15)5-10(14)7-17-13/h5,7,9,11H,2-4,6,8,16H2,1H3.
What are the key properties of [1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine?
[1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine has a molecular weight of 377.12 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dibromo-2-pyridinyl)methyl]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103440485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).