2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid)

C27H28F6N2O7 — CID 87293132

IUPAC2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1c2cc(OC3CCNCC3)ccc2-c2ccc(OC3CCNCC3)cc21
InChIInChI=1S/C23H26N2O3.2C2HF3O2/c26-23-21-13-17(27-15-5-9-24-10-6-15)1-3-19(21)20-4-2-18(14-22(20)23)28-16-7-11-25-12-8-16;2*3-2(4,5)1(6)7/h1-4,13-16,24-25H,5-12H2;2*(H,6,7)
InChIKeySKWYVOLTNVGQHL-UHFFFAOYSA-N
MW606.52 g/mol
LogP4.43
Rot. Bonds4

About 2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid)

2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87293132) has the molecular formula C27H28F6N2O7 and a molecular weight of 606.52 g/mol. Its IUPAC name is 2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid)
PubChem CID87293132
Molecular FormulaC27H28F6N2O7
Molecular Weight606.52 g/mol
Exact Mass606.18
IUPAC Name2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1c2cc(OC3CCNCC3)ccc2-c2ccc(OC3CCNCC3)cc21
InChIInChI=1S/C23H26N2O3.2C2HF3O2/c26-23-21-13-17(27-15-5-9-24-10-6-15)1-3-19(21)20-4-2-18(14-22(20)23)28-16-7-11-25-12-8-16;2*3-2(4,5)1(6)7/h1-4,13-16,24-25H,5-12H2;2*(H,6,7)
InChIKeySKWYVOLTNVGQHL-UHFFFAOYSA-N
XLogP4.43
TPSA134.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.52
LogP ≤ 54.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2,7-Bis-(1-methylpiperidin-4-yloxy)-fluoren-9-one
CID 57392852
(2E)-2-benzylidene-6-(3-piperidin-1-ylpropoxy)-3H-inden-1-one
CID 145973963
2,7-bis[2-(piperidin-1-yl)ethoxy]-9H-fluoren-9-one
CID 1111363
2,7-Bis(2-hydroxy-3-piperidin-1-ylpropoxy)fluoren-9-one
CID 71698782
2,7-Bis(3-piperidinopropoxy)fluoren-9-one
CID 20391042
3-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]-6-piperidin-4-yl-3H-2-benzofuran-1-one
CID 175498744
2,7-Bis(8-piperidin-1-yloctoxy)fluoren-9-one
CID 127032425
2,7-bis[2-(morpholin-4-yl)ethoxy]-9H-fluoren-9-one
CID 1111362
4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one
CID 10204963
4-[2-Hydroxy-3-[(4,4,4-trifluoro-1-piperidin-4-ylbutyl)amino]propoxy]fluoren-9-one
CID 18678587
4-(2-Hydroxy-3-{[1-(3,3,3-trifluoro-propyl)-piperidin-4-ylmethyl]-amino}-propoxy)-fluoren-9-one
CID 23553507
(9-Oxo-2-piperidin-4-yloxyfluoren-1-yl) 2,2,2-trifluoroacetate
CID 57439860

Frequently Asked Questions

What is the IUPAC name of 2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid) (CID 87293132) is 2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1c2cc(OC3CCNCC3)ccc2-c2ccc(OC3CCNCC3)cc21.
What is the InChIKey of 2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is SKWYVOLTNVGQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3.2C2HF3O2/c26-23-21-13-17(27-15-5-9-24-10-6-15)1-3-19(21)20-4-2-18(14-22(20)23)28-16-7-11-25-12-8-16;2*3-2(4,5)1(6)7/h1-4,13-16,24-25H,5-12H2;2*(H,6,7).
What are the key properties of 2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid)?
2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 606.52 g/mol, XLogP of 4.43, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(piperidin-4-yloxy)fluoren-9-one;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87293132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).