[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine

C13H18Br2N2 — CID 114077559

IUPAC[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine
SMILESCN1CCCC(CN)C1c1ccc(Br)c(Br)c1
InChIInChI=1S/C13H18Br2N2/c1-17-6-2-3-10(8-16)13(17)9-4-5-11(14)12(15)7-9/h4-5,7,10,13H,2-3,6,8,16H2,1H3
InChIKeyVNXYPXJMPNXHLX-UHFFFAOYSA-N
MW362.11 g/mol
LogP3.55
Rot. Bonds2

About [2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine

[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine (PubChem CID 114077559) has the molecular formula C13H18Br2N2 and a molecular weight of 362.11 g/mol. Its IUPAC name is [2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine
PubChem CID114077559
Molecular FormulaC13H18Br2N2
Molecular Weight362.11 g/mol
Exact Mass359.98
IUPAC Name[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine
SMILESCN1CCCC(CN)C1c1ccc(Br)c(Br)c1
InChIInChI=1S/C13H18Br2N2/c1-17-6-2-3-10(8-16)13(17)9-4-5-11(14)12(15)7-9/h4-5,7,10,13H,2-3,6,8,16H2,1H3
InChIKeyVNXYPXJMPNXHLX-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.11
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine
CID 82393146
[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 66161524
[(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 95241129
[(2S,3R)-1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methanamine
CID 98208232
[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine
CID 113329185
[2-(4-bromo-3-methylphenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 66481295
[2-(4-bromo-3-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
CID 81441629
[2-(3-bromothiophen-2-yl)-1-methylazepan-3-yl]methanamine
CID 115381356
[1-methyl-2-(6-methyl-3-pyridinyl)azepan-3-yl]methanamine
CID 104823698
[2-(4-bromo-3-methylphenyl)-1-ethylazepan-3-yl]methanamine
CID 66479697
[2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-yl]methanamine
CID 66479694
[(2S,3R)-1-methyl-2-(5-methylthiophen-2-yl)piperidin-3-yl]methanamine
CID 95328752

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine?
The IUPAC name of [2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine (CID 114077559) is [2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine is CN1CCCC(CN)C1c1ccc(Br)c(Br)c1.
What is the InChIKey of [2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine?
The InChIKey is VNXYPXJMPNXHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2/c1-17-6-2-3-10(8-16)13(17)9-4-5-11(14)12(15)7-9/h4-5,7,10,13H,2-3,6,8,16H2,1H3.
What are the key properties of [2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine?
[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine has a molecular weight of 362.11 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114077559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).