2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one

C23H24F2N2O2 — CID 56956701

IUPAC2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one
SMILESO=c1c2cc(F)c(N3CCCCC3)cc2oc2cc(N3CCCCC3)c(F)cc12
InChIInChI=1S/C23H24F2N2O2/c24-17-11-15-21(13-19(17)26-7-3-1-4-8-26)29-22-14-20(27-9-5-2-6-10-27)18(25)12-16(22)23(15)28/h11-14H,1-10H2
InChIKeyJSNNUSCGPSMEPK-UHFFFAOYSA-N
MW398.45 g/mol
LogP5.20
Rot. Bonds2

About 2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one

2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one (PubChem CID 56956701) has the molecular formula C23H24F2N2O2 and a molecular weight of 398.45 g/mol. Its IUPAC name is 2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one.

Molecular Properties

Compound Name2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one
PubChem CID56956701
Molecular FormulaC23H24F2N2O2
Molecular Weight398.45 g/mol
Exact Mass398.18
IUPAC Name2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one
SMILESO=c1c2cc(F)c(N3CCCCC3)cc2oc2cc(N3CCCCC3)c(F)cc12
InChIInChI=1S/C23H24F2N2O2/c24-17-11-15-21(13-19(17)26-7-3-1-4-8-26)29-22-14-20(27-9-5-2-6-10-27)18(25)12-16(22)23(15)28/h11-14H,1-10H2
InChIKeyJSNNUSCGPSMEPK-UHFFFAOYSA-N
XLogP5.20
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.45
LogP ≤ 55.20
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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Related Compounds

2,7-difluoro-10-methyl-3,6-di(piperidin-1-yl)acridin-9-one
CID 56956863
6-fluoro-1-(methylamino)-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 13387914
1-(5-fluoro-6-piperidin-1-yl-1,3-benzoxazol-2-yl)-N-methylmethanamine
CID 71048520
6-fluoro-4-oxo-7-pyrrolidin-1-ylthiochromene-3-carboxylic acid
CID 139666137
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbonitrile
CID 97032687
1-(2,5-difluorophenyl)piperidine
CID 22638080
5-fluoro-2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 974356
5,6-dimethyl-4-piperidin-1-ylpyran-2-one
CID 121011091
6-fluoro-1-(2-fluoro-4-nitrophenyl)-4-oxo-7-piperidin-1-ylquinoline-3-carboxylic acid
CID 5270922
1-(5-fluoro-2-methyl-4-piperidin-1-ylphenyl)ethanone
CID 775594
4-(4-fluoro-2-nitro-5-piperidin-1-ylphenyl)morpholine
CID 2872322

Frequently Asked Questions

What is the IUPAC name of 2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one?
The IUPAC name of 2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one (CID 56956701) is 2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one.
What is the SMILES notation for 2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one?
The canonical SMILES for 2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one is O=c1c2cc(F)c(N3CCCCC3)cc2oc2cc(N3CCCCC3)c(F)cc12.
What is the InChIKey of 2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one?
The InChIKey is JSNNUSCGPSMEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O2/c24-17-11-15-21(13-19(17)26-7-3-1-4-8-26)29-22-14-20(27-9-5-2-6-10-27)18(25)12-16(22)23(15)28/h11-14H,1-10H2.
What are the key properties of 2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one?
2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one has a molecular weight of 398.45 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-difluoro-3,6-di(piperidin-1-yl)xanthen-9-one is sourced from PubChem (CID 56956701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).