1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine

C13H18Br2N2O — CID 103414445

IUPAC1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2cc(OC)c(Br)cc2Br)CC1
InChIInChI=1S/C13H18Br2N2O/c1-16-9-3-5-17(6-4-9)12-8-13(18-2)11(15)7-10(12)14/h7-9,16H,3-6H2,1-2H3
InChIKeyCWSDDKGMAVAJNV-UHFFFAOYSA-N
MW378.11 g/mol
LogP3.41
Rot. Bonds3

About 1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine

1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine (PubChem CID 103414445) has the molecular formula C13H18Br2N2O and a molecular weight of 378.11 g/mol. Its IUPAC name is 1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine
PubChem CID103414445
Molecular FormulaC13H18Br2N2O
Molecular Weight378.11 g/mol
Exact Mass375.98
IUPAC Name1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2cc(OC)c(Br)cc2Br)CC1
InChIInChI=1S/C13H18Br2N2O/c1-16-9-3-5-17(6-4-9)12-8-13(18-2)11(15)7-10(12)14/h7-9,16H,3-6H2,1-2H3
InChIKeyCWSDDKGMAVAJNV-UHFFFAOYSA-N
XLogP3.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine (CID 103414445) is 1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine is CNC1CCN(c2cc(OC)c(Br)cc2Br)CC1.
What is the InChIKey of 1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine?
The InChIKey is CWSDDKGMAVAJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O/c1-16-9-3-5-17(6-4-9)12-8-13(18-2)11(15)7-10(12)14/h7-9,16H,3-6H2,1-2H3.
What are the key properties of 1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine?
1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine has a molecular weight of 378.11 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromo-5-methoxyphenyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 103414445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).