1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one

C13H14F2N2O — CID 138106003

IUPAC1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H14F2N2O/c1-2-13(18)17-7-5-16(6-8-17)12-4-3-10(14)9-11(12)15/h2-4,9H,1,5-8H2
InChIKeyYNWRMNOXEVTDCT-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.80
Rot. Bonds2

About 1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one

1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 138106003) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID138106003
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C13H14F2N2O/c1-2-13(18)17-7-5-16(6-8-17)12-4-3-10(14)9-11(12)15/h2-4,9H,1,5-8H2
InChIKeyYNWRMNOXEVTDCT-UHFFFAOYSA-N
XLogP1.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-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-[(2S)-2-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]morpholin-4-yl]prop-2-en-1-one
CID 172889905
1-[4-(2,4-difluorophenyl)piperazin-1-yl]butan-1-one
CID 113079847
tert-butyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
CID 113079908
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 167882186
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113079899
1-[4-(2,4-difluorobenzoyl)-4-hydroxypiperidin-1-yl]prop-2-en-1-one
CID 166415252
2-(4-acetylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 43312919
6-[4-(2,4-difluorophenyl)piperazine-1-carbonyl]spiro[3.3]heptane-2-carboxylic acid
CID 166262357
[4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 113079869
N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113106624
1-(2,4-difluorophenyl)piperazin-4-ium
CID 7004236
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one (CID 138106003) is 1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is YNWRMNOXEVTDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-2-13(18)17-7-5-16(6-8-17)12-4-3-10(14)9-11(12)15/h2-4,9H,1,5-8H2.
What are the key properties of 1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one?
1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 252.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 138106003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).