1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one

C20H23FN2O — CID 110293052

IUPAC1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
SMILESCN1CCN(C(=O)CCc2ccccc2)CC1c1ccccc1F
InChIInChI=1S/C20H23FN2O/c1-22-13-14-23(15-19(22)17-9-5-6-10-18(17)21)20(24)12-11-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
InChIKeyOMYUJEIPKRROCS-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.27
Rot. Bonds4

About 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one

1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 110293052) has the molecular formula C20H23FN2O and a molecular weight of 326.41 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
PubChem CID110293052
Molecular FormulaC20H23FN2O
Molecular Weight326.41 g/mol
Exact Mass326.18
IUPAC Name1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
SMILESCN1CCN(C(=O)CCc2ccccc2)CC1c1ccccc1F
InChIInChI=1S/C20H23FN2O/c1-22-13-14-23(15-19(22)17-9-5-6-10-18(17)21)20(24)12-11-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
InChIKeyOMYUJEIPKRROCS-UHFFFAOYSA-N
XLogP3.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-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

1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110310464
1-(4-chlorophenyl)-4-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]butane-1,4-dione
CID 110310485
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 110310462
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416826
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one
CID 110310475
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone
CID 110293024
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293046
2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone
CID 110293051
(E)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 110310490
(2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 124992020
(E)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylbut-2-en-1-one
CID 110310478
1-(1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)-3-phenylpropan-1-one
CID 110290846

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one (CID 110293052) is 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one is CN1CCN(C(=O)CCc2ccccc2)CC1c1ccccc1F.
What is the InChIKey of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is OMYUJEIPKRROCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-22-13-14-23(15-19(22)17-9-5-6-10-18(17)21)20(24)12-11-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3.
What are the key properties of 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one?
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 326.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 110293052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).