3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one

C14H19FN2O — CID 82297474

IUPAC3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
SMILESCC1CNCCN1C(=O)CCc1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-11-10-16-8-9-17(11)14(18)7-6-12-4-2-3-5-13(12)15/h2-5,11,16H,6-10H2,1H3
InChIKeyBDQCPRCJGTZWNQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.58
Rot. Bonds3

About 3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one

3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one (PubChem CID 82297474) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
PubChem CID82297474
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
SMILESCC1CNCCN1C(=O)CCc1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-11-10-16-8-9-17(11)14(18)7-6-12-4-2-3-5-13(12)15/h2-5,11,16H,6-10H2,1H3
InChIKeyBDQCPRCJGTZWNQ-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one 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

3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109408
3-(3-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 82297475
3-(4-chlorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 94993777
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705208
3-(4-methylphenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82705117
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
1-(2-methylpiperazin-1-yl)-4-(2-phenylethoxy)butan-1-one
CID 119471180
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
3-(3,4-dihydroxyphenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;ethane
CID 145342003
2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone
CID 119471466
1-(2-methylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one;hydrochloride
CID 119473497
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride
CID 120739331

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one (CID 82297474) is 3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one is CC1CNCCN1C(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one?
The InChIKey is BDQCPRCJGTZWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-11-10-16-8-9-17(11)14(18)7-6-12-4-2-3-5-13(12)15/h2-5,11,16H,6-10H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one?
3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one has a molecular weight of 250.32 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 82297474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).