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

C19H21FN2O — CID 51363163

IUPAC1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O/c1-15-3-2-4-18(13-15)22-11-9-21(10-12-22)14-19(23)16-5-7-17(20)8-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyDHZGRPLVKSFJBH-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.14
Rot. Bonds4

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

1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 51363163) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID51363163
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O/c1-15-3-2-4-18(13-15)22-11-9-21(10-12-22)14-19(23)16-5-7-17(20)8-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyDHZGRPLVKSFJBH-UHFFFAOYSA-N
XLogP3.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-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

Related Compounds

1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone
CID 5090901
N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735668
potassium trifluoro-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-en-2-yl]boranuide
CID 106745610
N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514
4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid
CID 43826187
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735853
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
1-(4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone chloride
CID 53351715
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone (CID 51363163) is 1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is DHZGRPLVKSFJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-15-3-2-4-18(13-15)22-11-9-21(10-12-22)14-19(23)16-5-7-17(20)8-6-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 312.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 51363163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).