2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one

C25H30N2O3 — CID 57392852

IUPAC2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one
SMILESCN1CCC(Oc2ccc3c(c2)C(=O)c2cc(OC4CCN(C)CC4)ccc2-3)CC1
InChIInChI=1S/C25H30N2O3/c1-26-11-7-17(8-12-26)29-19-3-5-21-22-6-4-20(16-24(22)25(28)23(21)15-19)30-18-9-13-27(2)14-10-18/h3-6,15-18H,7-14H2,1-2H3
InChIKeyFJJGGTBKCRIRHH-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.84
Rot. Bonds4

About 2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one

2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one (PubChem CID 57392852) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one
PubChem CID57392852
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one
SMILESCN1CCC(Oc2ccc3c(c2)C(=O)c2cc(OC4CCN(C)CC4)ccc2-3)CC1
InChIInChI=1S/C25H30N2O3/c1-26-11-7-17(8-12-26)29-19-3-5-21-22-6-4-20(16-24(22)25(28)23(21)15-19)30-18-9-13-27(2)14-10-18/h3-6,15-18H,7-14H2,1-2H3
InChIKeyFJJGGTBKCRIRHH-UHFFFAOYSA-N
XLogP3.84
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one?
The IUPAC name of 2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one (CID 57392852) is 2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one.
What is the SMILES notation for 2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one?
The canonical SMILES for 2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one is CN1CCC(Oc2ccc3c(c2)C(=O)c2cc(OC4CCN(C)CC4)ccc2-3)CC1.
What is the InChIKey of 2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one?
The InChIKey is FJJGGTBKCRIRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-26-11-7-17(8-12-26)29-19-3-5-21-22-6-4-20(16-24(22)25(28)23(21)15-19)30-18-9-13-27(2)14-10-18/h3-6,15-18H,7-14H2,1-2H3.
What are the key properties of 2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one?
2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one has a molecular weight of 406.53 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[(1-methylpiperidin-4-yl)oxy]fluoren-9-one is sourced from PubChem (CID 57392852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).