1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione

C28H36N4O2 — CID 14320115

IUPAC1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione
SMILESO=C1c2cccc(NCCN3CCCCC3)c2C(=O)c2cccc(NCCN3CCCCC3)c21
InChIInChI=1S/C28H36N4O2/c33-27-22-10-8-12-24(30-14-20-32-17-5-2-6-18-32)26(22)28(34)21-9-7-11-23(25(21)27)29-13-19-31-15-3-1-4-16-31/h7-12,29-30H,1-6,13-20H2
InChIKeyAKKUUYSFUYLIAS-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.26
Rot. Bonds8

About 1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione

1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione (PubChem CID 14320115) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione
PubChem CID14320115
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione
SMILESO=C1c2cccc(NCCN3CCCCC3)c2C(=O)c2cccc(NCCN3CCCCC3)c21
InChIInChI=1S/C28H36N4O2/c33-27-22-10-8-12-24(30-14-20-32-17-5-2-6-18-32)26(22)28(34)21-9-7-11-23(25(21)27)29-13-19-31-15-3-1-4-16-31/h7-12,29-30H,1-6,13-20H2
InChIKeyAKKUUYSFUYLIAS-UHFFFAOYSA-N
XLogP4.26
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione?
The IUPAC name of 1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione (CID 14320115) is 1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione.
What is the SMILES notation for 1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione?
The canonical SMILES for 1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione is O=C1c2cccc(NCCN3CCCCC3)c2C(=O)c2cccc(NCCN3CCCCC3)c21.
What is the InChIKey of 1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione?
The InChIKey is AKKUUYSFUYLIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c33-27-22-10-8-12-24(30-14-20-32-17-5-2-6-18-32)26(22)28(34)21-9-7-11-23(25(21)27)29-13-19-31-15-3-1-4-16-31/h7-12,29-30H,1-6,13-20H2.
What are the key properties of 1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione?
1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione has a molecular weight of 460.62 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione is sourced from PubChem (CID 14320115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).