1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone

C19H21FN2O2 — CID 892365

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O2/c1-15-3-2-4-18(13-15)24-14-19(23)22-11-9-21(10-12-22)17-7-5-16(20)6-8-17/h2-8,13H,9-12,14H2,1H3
InChIKeyLATPLRUTVGWGFF-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.86
Rot. Bonds4

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone (PubChem CID 892365) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
PubChem CID892365
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O2/c1-15-3-2-4-18(13-15)24-14-19(23)22-11-9-21(10-12-22)17-7-5-16(20)6-8-17/h2-8,13H,9-12,14H2,1H3
InChIKeyLATPLRUTVGWGFF-UHFFFAOYSA-N
XLogP2.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)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-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone (CID 892365) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone is Cc1cccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The InChIKey is LATPLRUTVGWGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-15-3-2-4-18(13-15)24-14-19(23)22-11-9-21(10-12-22)17-7-5-16(20)6-8-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone has a molecular weight of 328.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone is sourced from PubChem (CID 892365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).