[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine

C13H18BrClN2 — CID 66161524

IUPAC[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
SMILESCN1CCCC(CN)C1c1cc(Cl)ccc1Br
InChIInChI=1S/C13H18BrClN2/c1-17-6-2-3-9(8-16)13(17)11-7-10(15)4-5-12(11)14/h4-5,7,9,13H,2-3,6,8,16H2,1H3
InChIKeyFFIQZWFIMWTACW-UHFFFAOYSA-N
MW317.66 g/mol
LogP3.44
Rot. Bonds2

About [2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine

[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine (PubChem CID 66161524) has the molecular formula C13H18BrClN2 and a molecular weight of 317.66 g/mol. Its IUPAC name is [2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
PubChem CID66161524
Molecular FormulaC13H18BrClN2
Molecular Weight317.66 g/mol
Exact Mass316.03
IUPAC Name[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
SMILESCN1CCCC(CN)C1c1cc(Cl)ccc1Br
InChIInChI=1S/C13H18BrClN2/c1-17-6-2-3-9(8-16)13(17)11-7-10(15)4-5-12(11)14/h4-5,7,9,13H,2-3,6,8,16H2,1H3
InChIKeyFFIQZWFIMWTACW-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.66
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine?
The IUPAC name of [2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine (CID 66161524) is [2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine is CN1CCCC(CN)C1c1cc(Cl)ccc1Br.
What is the InChIKey of [2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine?
The InChIKey is FFIQZWFIMWTACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2/c1-17-6-2-3-9(8-16)13(17)11-7-10(15)4-5-12(11)14/h4-5,7,9,13H,2-3,6,8,16H2,1H3.
What are the key properties of [2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine?
[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine has a molecular weight of 317.66 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 66161524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).