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

C20H22FNO2 — CID 887582

IUPAC1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H22FNO2/c21-18-6-8-19(9-7-18)24-15-20(23)22-12-10-17(11-13-22)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2
InChIKeyVBQVQXUJHUUSJI-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.69
Rot. Bonds5

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

1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone (PubChem CID 887582) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone
PubChem CID887582
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H22FNO2/c21-18-6-8-19(9-7-18)24-15-20(23)22-12-10-17(11-13-22)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2
InChIKeyVBQVQXUJHUUSJI-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)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 1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone (CID 887582) is 1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone is O=C(COc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone?
The InChIKey is VBQVQXUJHUUSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c21-18-6-8-19(9-7-18)24-15-20(23)22-12-10-17(11-13-22)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone?
1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone has a molecular weight of 327.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 887582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).