3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline

C11H15Cl2N3 — CID 141211045

IUPAC3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline
SMILESCN1CCN(c2c(N)ccc(Cl)c2Cl)CC1
InChIInChI=1S/C11H15Cl2N3/c1-15-4-6-16(7-5-15)11-9(14)3-2-8(12)10(11)13/h2-3H,4-7,14H2,1H3
InChIKeyNRWVUVKAOIMXEF-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.33
Rot. Bonds1

About 3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline

3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline (PubChem CID 141211045) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline
PubChem CID141211045
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline
SMILESCN1CCN(c2c(N)ccc(Cl)c2Cl)CC1
InChIInChI=1S/C11H15Cl2N3/c1-15-4-6-16(7-5-15)11-9(14)3-2-8(12)10(11)13/h2-3H,4-7,14H2,1H3
InChIKeyNRWVUVKAOIMXEF-UHFFFAOYSA-N
XLogP2.33
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline?
The IUPAC name of 3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline (CID 141211045) is 3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline.
What is the SMILES notation for 3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline?
The canonical SMILES for 3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline is CN1CCN(c2c(N)ccc(Cl)c2Cl)CC1.
What is the InChIKey of 3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline?
The InChIKey is NRWVUVKAOIMXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3/c1-15-4-6-16(7-5-15)11-9(14)3-2-8(12)10(11)13/h2-3H,4-7,14H2,1H3.
What are the key properties of 3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline?
3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline has a molecular weight of 260.17 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline is sourced from PubChem (CID 141211045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).