1-chloro-5-piperidin-1-ylanthracene-9,10-dione

C19H16ClNO2 — CID 3453577

IUPAC1-chloro-5-piperidin-1-ylanthracene-9,10-dione
SMILESO=C1c2cccc(N3CCCCC3)c2C(=O)c2cccc(Cl)c21
InChIInChI=1S/C19H16ClNO2/c20-14-8-4-6-12-16(14)18(22)13-7-5-9-15(17(13)19(12)23)21-10-2-1-3-11-21/h4-9H,1-3,10-11H2
InChIKeyLODWZJARTZILPC-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.11
Rot. Bonds1

About 1-chloro-5-piperidin-1-ylanthracene-9,10-dione

1-chloro-5-piperidin-1-ylanthracene-9,10-dione (PubChem CID 3453577) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-chloro-5-piperidin-1-ylanthracene-9,10-dione.

Molecular Properties

Compound Name1-chloro-5-piperidin-1-ylanthracene-9,10-dione
PubChem CID3453577
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name1-chloro-5-piperidin-1-ylanthracene-9,10-dione
SMILESO=C1c2cccc(N3CCCCC3)c2C(=O)c2cccc(Cl)c21
InChIInChI=1S/C19H16ClNO2/c20-14-8-4-6-12-16(14)18(22)13-7-5-9-15(17(13)19(12)23)21-10-2-1-3-11-21/h4-9H,1-3,10-11H2
InChIKeyLODWZJARTZILPC-UHFFFAOYSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-5-piperidin-1-ylanthracene-9,10-dione?
The IUPAC name of 1-chloro-5-piperidin-1-ylanthracene-9,10-dione (CID 3453577) is 1-chloro-5-piperidin-1-ylanthracene-9,10-dione.
What is the SMILES notation for 1-chloro-5-piperidin-1-ylanthracene-9,10-dione?
The canonical SMILES for 1-chloro-5-piperidin-1-ylanthracene-9,10-dione is O=C1c2cccc(N3CCCCC3)c2C(=O)c2cccc(Cl)c21.
What is the InChIKey of 1-chloro-5-piperidin-1-ylanthracene-9,10-dione?
The InChIKey is LODWZJARTZILPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c20-14-8-4-6-12-16(14)18(22)13-7-5-9-15(17(13)19(12)23)21-10-2-1-3-11-21/h4-9H,1-3,10-11H2.
What are the key properties of 1-chloro-5-piperidin-1-ylanthracene-9,10-dione?
1-chloro-5-piperidin-1-ylanthracene-9,10-dione has a molecular weight of 325.80 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-piperidin-1-ylanthracene-9,10-dione is sourced from PubChem (CID 3453577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).