1,8-di(piperidin-1-yl)anthracene-9,10-dione

C24H26N2O2 — CID 11314827

IUPAC1,8-di(piperidin-1-yl)anthracene-9,10-dione
SMILESO=C1c2cccc(N3CCCCC3)c2C(=O)c2c1cccc2N1CCCCC1
InChIInChI=1S/C24H26N2O2/c27-23-17-9-7-11-19(25-13-3-1-4-14-25)21(17)24(28)22-18(23)10-8-12-20(22)26-15-5-2-6-16-26/h7-12H,1-6,13-16H2
InChIKeyGJSHYHKDUSYPDN-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.44
Rot. Bonds2

About 1,8-di(piperidin-1-yl)anthracene-9,10-dione

1,8-di(piperidin-1-yl)anthracene-9,10-dione (PubChem CID 11314827) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1,8-di(piperidin-1-yl)anthracene-9,10-dione.

Molecular Properties

Compound Name1,8-di(piperidin-1-yl)anthracene-9,10-dione
PubChem CID11314827
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1,8-di(piperidin-1-yl)anthracene-9,10-dione
SMILESO=C1c2cccc(N3CCCCC3)c2C(=O)c2c1cccc2N1CCCCC1
InChIInChI=1S/C24H26N2O2/c27-23-17-9-7-11-19(25-13-3-1-4-14-25)21(17)24(28)22-18(23)10-8-12-20(22)26-15-5-2-6-16-26/h7-12H,1-6,13-16H2
InChIKeyGJSHYHKDUSYPDN-UHFFFAOYSA-N
XLogP4.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,8-di(piperidin-1-yl)anthracene-9,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

C.I. Disperse Blue 3
CID 17191
Cyanine Green G Base
CID 31416
1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione
CID 61719
C.I. Solvent Blue 35
CID 3766139
Solvent Red 111
CID 6706
1,4-Bis((2-hydroxyethyl)amino)anthraquinone
CID 20549
Anthrimide
CID 6700
Disperse Violet 4
CID 14650
9,10-Anthracenedione, 1,4-bis(methylamino)-
CID 17189
Solvent Blue 63
CID 80834
Corinth flour
CID 66479
3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione
CID 66476

Frequently Asked Questions

What is the IUPAC name of 1,8-di(piperidin-1-yl)anthracene-9,10-dione?
The IUPAC name of 1,8-di(piperidin-1-yl)anthracene-9,10-dione (CID 11314827) is 1,8-di(piperidin-1-yl)anthracene-9,10-dione.
What is the SMILES notation for 1,8-di(piperidin-1-yl)anthracene-9,10-dione?
The canonical SMILES for 1,8-di(piperidin-1-yl)anthracene-9,10-dione is O=C1c2cccc(N3CCCCC3)c2C(=O)c2c1cccc2N1CCCCC1.
What is the InChIKey of 1,8-di(piperidin-1-yl)anthracene-9,10-dione?
The InChIKey is GJSHYHKDUSYPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c27-23-17-9-7-11-19(25-13-3-1-4-14-25)21(17)24(28)22-18(23)10-8-12-20(22)26-15-5-2-6-16-26/h7-12H,1-6,13-16H2.
What are the key properties of 1,8-di(piperidin-1-yl)anthracene-9,10-dione?
1,8-di(piperidin-1-yl)anthracene-9,10-dione has a molecular weight of 374.48 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-di(piperidin-1-yl)anthracene-9,10-dione is sourced from PubChem (CID 11314827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).