2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone

C16H22FNO2 — CID 53150862

IUPAC2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone
SMILESCOCCC1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C16H22FNO2/c1-20-11-8-13-6-9-18(10-7-13)16(19)12-14-4-2-3-5-15(14)17/h2-5,13H,6-12H2,1H3
InChIKeyNZIUPRJVRZVLSN-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.64
Rot. Bonds5

About 2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone (PubChem CID 53150862) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone
PubChem CID53150862
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone
SMILESCOCCC1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C16H22FNO2/c1-20-11-8-13-6-9-18(10-7-13)16(19)12-14-4-2-3-5-15(14)17/h2-5,13H,6-12H2,1H3
InChIKeyNZIUPRJVRZVLSN-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone (CID 53150862) is 2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone is COCCC1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone?
The InChIKey is NZIUPRJVRZVLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-20-11-8-13-6-9-18(10-7-13)16(19)12-14-4-2-3-5-15(14)17/h2-5,13H,6-12H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone has a molecular weight of 279.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53150862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).