3,6-di(piperidin-1-yl)xanthen-9-one

C23H26N2O2 — CID 67218090

IUPAC3,6-di(piperidin-1-yl)xanthen-9-one
SMILESO=c1c2ccc(N3CCCCC3)cc2oc2cc(N3CCCCC3)ccc12
InChIInChI=1S/C23H26N2O2/c26-23-19-9-7-17(24-11-3-1-4-12-24)15-21(19)27-22-16-18(8-10-20(22)23)25-13-5-2-6-14-25/h7-10,15-16H,1-6,11-14H2
InChIKeyVNQGYWZWCSTXQK-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.93
Rot. Bonds2

About 3,6-di(piperidin-1-yl)xanthen-9-one

3,6-di(piperidin-1-yl)xanthen-9-one (PubChem CID 67218090) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3,6-di(piperidin-1-yl)xanthen-9-one.

Molecular Properties

Compound Name3,6-di(piperidin-1-yl)xanthen-9-one
PubChem CID67218090
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name3,6-di(piperidin-1-yl)xanthen-9-one
SMILESO=c1c2ccc(N3CCCCC3)cc2oc2cc(N3CCCCC3)ccc12
InChIInChI=1S/C23H26N2O2/c26-23-19-9-7-17(24-11-3-1-4-12-24)15-21(19)27-22-16-18(8-10-20(22)23)25-13-5-2-6-14-25/h7-10,15-16H,1-6,11-14H2
InChIKeyVNQGYWZWCSTXQK-UHFFFAOYSA-N
XLogP4.93
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(piperidin-1-yl)xanthen-9-one?
The IUPAC name of 3,6-di(piperidin-1-yl)xanthen-9-one (CID 67218090) is 3,6-di(piperidin-1-yl)xanthen-9-one.
What is the SMILES notation for 3,6-di(piperidin-1-yl)xanthen-9-one?
The canonical SMILES for 3,6-di(piperidin-1-yl)xanthen-9-one is O=c1c2ccc(N3CCCCC3)cc2oc2cc(N3CCCCC3)ccc12.
What is the InChIKey of 3,6-di(piperidin-1-yl)xanthen-9-one?
The InChIKey is VNQGYWZWCSTXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-23-19-9-7-17(24-11-3-1-4-12-24)15-21(19)27-22-16-18(8-10-20(22)23)25-13-5-2-6-14-25/h7-10,15-16H,1-6,11-14H2.
What are the key properties of 3,6-di(piperidin-1-yl)xanthen-9-one?
3,6-di(piperidin-1-yl)xanthen-9-one has a molecular weight of 362.47 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(piperidin-1-yl)xanthen-9-one is sourced from PubChem (CID 67218090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).