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

C21H18F2N2O2 — CID 134137910

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H18F2N2O2/c22-21(23)12-13-25(20(26)16-7-2-1-3-8-16)14-18(21)27-19-11-10-15-6-4-5-9-17(15)24-19/h1-11,18H,12-14H2
InChIKeyGREGEUCGFKPDRT-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.16
Rot. Bonds3

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

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-phenylmethanone (PubChem CID 134137910) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-phenylmethanone
PubChem CID134137910
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H18F2N2O2/c22-21(23)12-13-25(20(26)16-7-2-1-3-8-16)14-18(21)27-19-11-10-15-6-4-5-9-17(15)24-19/h1-11,18H,12-14H2
InChIKeyGREGEUCGFKPDRT-UHFFFAOYSA-N
XLogP4.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.16
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)-phenylmethanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-phenylmethanone (CID 134137910) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-phenylmethanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-phenylmethanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-phenylmethanone is O=C(c1ccccc1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-phenylmethanone?
The InChIKey is GREGEUCGFKPDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c22-21(23)12-13-25(20(26)16-7-2-1-3-8-16)14-18(21)27-19-11-10-15-6-4-5-9-17(15)24-19/h1-11,18H,12-14H2.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-phenylmethanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-phenylmethanone has a molecular weight of 368.38 g/mol, XLogP of 4.16, 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)-phenylmethanone is sourced from PubChem (CID 134137910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).