1-(4-methylpiperazin-1-yl)anthracene-9,10-dione

C19H18N2O2 — CID 5151543

IUPAC1-(4-methylpiperazin-1-yl)anthracene-9,10-dione
SMILESCN1CCN(c2cccc3c2C(=O)c2ccccc2C3=O)CC1
InChIInChI=1S/C19H18N2O2/c1-20-9-11-21(12-10-20)16-8-4-7-15-17(16)19(23)14-6-3-2-5-13(14)18(15)22/h2-8H,9-12H2,1H3
InChIKeyOIEZQGTXHKRASP-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.21
Rot. Bonds1

About 1-(4-methylpiperazin-1-yl)anthracene-9,10-dione

1-(4-methylpiperazin-1-yl)anthracene-9,10-dione (PubChem CID 5151543) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)anthracene-9,10-dione
PubChem CID5151543
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-(4-methylpiperazin-1-yl)anthracene-9,10-dione
SMILESCN1CCN(c2cccc3c2C(=O)c2ccccc2C3=O)CC1
InChIInChI=1S/C19H18N2O2/c1-20-9-11-21(12-10-20)16-8-4-7-15-17(16)19(23)14-6-3-2-5-13(14)18(15)22/h2-8H,9-12H2,1H3
InChIKeyOIEZQGTXHKRASP-UHFFFAOYSA-N
XLogP2.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)anthracene-9,10-dione?
The IUPAC name of 1-(4-methylpiperazin-1-yl)anthracene-9,10-dione (CID 5151543) is 1-(4-methylpiperazin-1-yl)anthracene-9,10-dione.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)anthracene-9,10-dione?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)anthracene-9,10-dione is CN1CCN(c2cccc3c2C(=O)c2ccccc2C3=O)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)anthracene-9,10-dione?
The InChIKey is OIEZQGTXHKRASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-20-9-11-21(12-10-20)16-8-4-7-15-17(16)19(23)14-6-3-2-5-13(14)18(15)22/h2-8H,9-12H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)anthracene-9,10-dione?
1-(4-methylpiperazin-1-yl)anthracene-9,10-dione has a molecular weight of 306.37 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)anthracene-9,10-dione is sourced from PubChem (CID 5151543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).