1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone

C19H20F2N2O2 — CID 78893807

IUPAC1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CN2CCN(c3ccccc3F)CC2)c1O
InChIInChI=1S/C19H20F2N2O2/c1-13(24)16-11-15(20)10-14(19(16)25)12-22-6-8-23(9-7-22)18-5-3-2-4-17(18)21/h2-5,10-11,25H,6-9,12H2,1H3
InChIKeyUPUNNMSMOHBSDY-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.20
Rot. Bonds4

About 1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone

1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone (PubChem CID 78893807) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone
PubChem CID78893807
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CN2CCN(c3ccccc3F)CC2)c1O
InChIInChI=1S/C19H20F2N2O2/c1-13(24)16-11-15(20)10-14(19(16)25)12-22-6-8-23(9-7-22)18-5-3-2-4-17(18)21/h2-5,10-11,25H,6-9,12H2,1H3
InChIKeyUPUNNMSMOHBSDY-UHFFFAOYSA-N
XLogP3.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]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-[5-fluoro-2-hydroxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 55028009
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-nitrophenol
CID 783305
1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 750916
N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 109029942
1-(2-fluorophenyl)-4-[(2-methoxy-5-nitrophenyl)methyl]piperazine
CID 31628269
N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
CID 174377053
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
1-[4-[5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 46043392
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone (CID 78893807) is 1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone is CC(=O)c1cc(F)cc(CN2CCN(c3ccccc3F)CC2)c1O.
What is the InChIKey of 1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone?
The InChIKey is UPUNNMSMOHBSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-13(24)16-11-15(20)10-14(19(16)25)12-22-6-8-23(9-7-22)18-5-3-2-4-17(18)21/h2-5,10-11,25H,6-9,12H2,1H3.
What are the key properties of 1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone?
1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone has a molecular weight of 346.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 78893807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).