2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone

C14H18FNO2 — CID 806175

IUPAC2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COc2ccccc2F)CC1
InChIInChI=1S/C14H18FNO2/c1-11-6-8-16(9-7-11)14(17)10-18-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3
InChIKeyOJAMVIUMPLGLGN-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.46
Rot. Bonds3

About 2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone

2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 806175) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID806175
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COc2ccccc2F)CC1
InChIInChI=1S/C14H18FNO2/c1-11-6-8-16(9-7-11)14(17)10-18-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3
InChIKeyOJAMVIUMPLGLGN-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone (CID 806175) is 2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)COc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is OJAMVIUMPLGLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-11-6-8-16(9-7-11)14(17)10-18-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone?
2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 251.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 806175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).