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

C10H18FN3 — CID 142349174

IUPACN-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
SMILESCC/C(F)=C\N=C(/C)N1CCNCC1
InChIInChI=1S/C10H18FN3/c1-3-10(11)8-13-9(2)14-6-4-12-5-7-14/h8,12H,3-7H2,1-2H3/b10-8+,13-9+
InChIKeyCTYNXXYUMLKMFM-IAQVKYGWSA-N
MW199.27 g/mol
LogP1.53
Rot. Bonds2

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

N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine (PubChem CID 142349174) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine.

Molecular Properties

Compound NameN-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
PubChem CID142349174
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC NameN-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
SMILESCC/C(F)=C\N=C(/C)N1CCNCC1
InChIInChI=1S/C10H18FN3/c1-3-10(11)8-13-9(2)14-6-4-12-5-7-14/h8,12H,3-7H2,1-2H3/b10-8+,13-9+
InChIKeyCTYNXXYUMLKMFM-IAQVKYGWSA-N
XLogP1.53
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.53
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'}

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Related Compounds

1-(5-Fluoro-3,4-dihydropyridin-2-yl)-3-methylpiperazine
CID 142349000
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
ethane;N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine
CID 142349173
N-[(1Z)-buta-1,3-dienyl]-1-piperazin-1-ylethanimine;ethane
CID 144038774

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine?
The IUPAC name of N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine (CID 142349174) is N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine.
What is the SMILES notation for N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine?
The canonical SMILES for N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine is CC/C(F)=C\N=C(/C)N1CCNCC1.
What is the InChIKey of N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine?
The InChIKey is CTYNXXYUMLKMFM-IAQVKYGWSA-N. The full InChI is InChI=1S/C10H18FN3/c1-3-10(11)8-13-9(2)14-6-4-12-5-7-14/h8,12H,3-7H2,1-2H3/b10-8+,13-9+.
What are the key properties of N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine?
N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine has a molecular weight of 199.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluorobut-1-enyl]-1-piperazin-1-ylethanimine is sourced from PubChem (CID 142349174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).