2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline

C13H19Cl2N3 — CID 82889033

IUPAC2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
SMILESCN1CCN(CCNc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3/c1-17-7-9-18(10-8-17)6-5-16-13-11(14)3-2-4-12(13)15/h2-4,16H,5-10H2,1H3
InChIKeyNPLINSCAXLHOAT-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.65
Rot. Bonds4

About 2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline

2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline (PubChem CID 82889033) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
PubChem CID82889033
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
SMILESCN1CCN(CCNc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3/c1-17-7-9-18(10-8-17)6-5-16-13-11(14)3-2-4-12(13)15/h2-4,16H,5-10H2,1H3
InChIKeyNPLINSCAXLHOAT-UHFFFAOYSA-N
XLogP2.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of 2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline (CID 82889033) is 2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline is CN1CCN(CCNc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The InChIKey is NPLINSCAXLHOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3/c1-17-7-9-18(10-8-17)6-5-16-13-11(14)3-2-4-12(13)15/h2-4,16H,5-10H2,1H3.
What are the key properties of 2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline has a molecular weight of 288.22 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 82889033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).