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

C19H21FN2O — CID 890857

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H21FN2O/c1-15-6-8-16(9-7-15)14-19(23)22-12-10-21(11-13-22)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3
InChIKeyYHPUKWHWFWQEFU-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.03
Rot. Bonds3

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

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 890857) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID890857
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H21FN2O/c1-15-6-8-16(9-7-15)14-19(23)22-12-10-21(11-13-22)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3
InChIKeyYHPUKWHWFWQEFU-UHFFFAOYSA-N
XLogP3.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Fentanyl
CID 3345
3-Methylfentanyl
CID 61996
N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)butanamide
CID 621174
alpha-Methylfentanyl
CID 62281
1-(4-((3-Fluorophenyl)amino)-1-piperidinyl)-2-(4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)ethanone
CID 15984937
N-(1-Benzyl-4-piperidyl)-N-phenylpropanamide
CID 252141
3-Methylfentanyl, cis-
CID 3041260
N-(4-fluorophenyl)-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide
CID 62300
Acetylfentanyl
CID 527015
Fentanyl Hydrochloride
CID 83932
p-Tolylfentanyl
CID 527013
Diampromide
CID 62370

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (CID 890857) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is YHPUKWHWFWQEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-15-6-8-16(9-7-15)14-19(23)22-12-10-21(11-13-22)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 312.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 890857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).