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

C14H18FNO2 — CID 2928410

IUPAC2-(4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-11-4-2-3-9-16(11)14(17)10-18-13-7-5-12(15)6-8-13/h5-8,11H,2-4,9-10H2,1H3
InChIKeyPHXILDKFLAXNJL-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.61
Rot. Bonds3

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

2-(4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 2928410) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID2928410
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-11-4-2-3-9-16(11)14(17)10-18-13-7-5-12(15)6-8-13/h5-8,11H,2-4,9-10H2,1H3
InChIKeyPHXILDKFLAXNJL-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone (CID 2928410) is 2-(4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is PHXILDKFLAXNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-11-4-2-3-9-16(11)14(17)10-18-13-7-5-12(15)6-8-13/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
2-(4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 251.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 2928410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).