(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone

C21H17F3N2O2 — CID 77105011

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H17F3N2O2/c22-16-7-3-2-6-15(16)20(27)26-12-11-21(23,24)18(13-26)28-19-10-9-14-5-1-4-8-17(14)25-19/h1-10,18H,11-13H2
InChIKeyWTJOAMGQUVUPEB-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.30
Rot. Bonds3

About (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone (PubChem CID 77105011) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone
PubChem CID77105011
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H17F3N2O2/c22-16-7-3-2-6-15(16)20(27)26-12-11-21(23,24)18(13-26)28-19-10-9-14-5-1-4-8-17(14)25-19/h1-10,18H,11-13H2
InChIKeyWTJOAMGQUVUPEB-UHFFFAOYSA-N
XLogP4.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone (CID 77105011) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone?
The InChIKey is WTJOAMGQUVUPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c22-16-7-3-2-6-15(16)20(27)26-12-11-21(23,24)18(13-26)28-19-10-9-14-5-1-4-8-17(14)25-19/h1-10,18H,11-13H2.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone has a molecular weight of 386.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 77105011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).