ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine

C12H24FN3 — CID 142349173

IUPACethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
SMILESCC.CC/C(F)=C\N=C(/C)N1CCNCC1
InChIInChI=1S/C10H18FN3.C2H6/c1-3-10(11)8-13-9(2)14-6-4-12-5-7-14;1-2/h8,12H,3-7H2,1-2H3;1-2H3/b10-8+,13-9+;
InChIKeyVYRFHWBGYDDWPY-NAHDPAFRSA-N
MW229.34 g/mol
LogP2.56
Rot. Bonds2

About ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine

ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine (PubChem CID 142349173) has the molecular formula C12H24FN3 and a molecular weight of 229.34 g/mol. Its IUPAC name is ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine.

Molecular Properties

Compound Nameethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
PubChem CID142349173
Molecular FormulaC12H24FN3
Molecular Weight229.34 g/mol
Exact Mass229.20
IUPAC Nameethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
SMILESCC.CC/C(F)=C\N=C(/C)N1CCNCC1
InChIInChI=1S/C10H18FN3.C2H6/c1-3-10(11)8-13-9(2)14-6-4-12-5-7-14;1-2/h8,12H,3-7H2,1-2H3;1-2H3/b10-8+,13-9+;
InChIKeyVYRFHWBGYDDWPY-NAHDPAFRSA-N
XLogP2.56
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine 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-3,4-dihydropyridin-2-yl)-3-methylpiperazine
CID 142349000
N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
CID 142349174
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine
CID 89117793
N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine
CID 123148170
N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine
CID 123357654
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine;ethane
CID 144038774

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine?
The IUPAC name of ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine (CID 142349173) is ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine.
What is the SMILES notation for ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine?
The canonical SMILES for ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine is CC.CC/C(F)=C\N=C(/C)N1CCNCC1.
What is the InChIKey of ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine?
The InChIKey is VYRFHWBGYDDWPY-NAHDPAFRSA-N. The full InChI is InChI=1S/C10H18FN3.C2H6/c1-3-10(11)8-13-9(2)14-6-4-12-5-7-14;1-2/h8,12H,3-7H2,1-2H3;1-2H3/b10-8+,13-9+;.
What are the key properties of ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine?
ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine has a molecular weight of 229.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine is sourced from PubChem (CID 142349173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).