4-(4-methylpiperazin-1-yl)benzene-1,2-diamine

C11H18N4 — CID 2763545

IUPAC4-(4-methylpiperazin-1-yl)benzene-1,2-diamine
SMILESCN1CCN(c2ccc(N)c(N)c2)CC1
InChIInChI=1S/C11H18N4/c1-14-4-6-15(7-5-14)9-2-3-10(12)11(13)8-9/h2-3,8H,4-7,12-13H2,1H3
InChIKeyRTDKAEOVZXYWJW-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.60
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)benzene-1,2-diamine

4-(4-methylpiperazin-1-yl)benzene-1,2-diamine (PubChem CID 2763545) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)benzene-1,2-diamine
PubChem CID2763545
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-(4-methylpiperazin-1-yl)benzene-1,2-diamine
SMILESCN1CCN(c2ccc(N)c(N)c2)CC1
InChIInChI=1S/C11H18N4/c1-14-4-6-15(7-5-14)9-2-3-10(12)11(13)8-9/h2-3,8H,4-7,12-13H2,1H3
InChIKeyRTDKAEOVZXYWJW-UHFFFAOYSA-N
XLogP0.60
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)benzene-1,2-diamine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)benzene-1,2-diamine (CID 2763545) is 4-(4-methylpiperazin-1-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)benzene-1,2-diamine is CN1CCN(c2ccc(N)c(N)c2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)benzene-1,2-diamine?
The InChIKey is RTDKAEOVZXYWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-14-4-6-15(7-5-14)9-2-3-10(12)11(13)8-9/h2-3,8H,4-7,12-13H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)benzene-1,2-diamine?
4-(4-methylpiperazin-1-yl)benzene-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)benzene-1,2-diamine is sourced from PubChem (CID 2763545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).