1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine

C8H15FN4 — CID 144563745

IUPAC1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine
SMILES[H]/N=C(\CF)N1/C(=N/[H])C(C)NCC1C
InChIInChI=1S/C8H15FN4/c1-5-4-12-6(2)8(11)13(5)7(10)3-9/h5-6,10-12H,3-4H2,1-2H3/b10-7+,11-8+
InChIKeyKCIHRLUSHKDFCA-AMMQDNIMSA-N
MW186.23 g/mol
LogP0.59
Rot. Bonds1

About 1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine

1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine (PubChem CID 144563745) has the molecular formula C8H15FN4 and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine.

Molecular Properties

Compound Name1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine
PubChem CID144563745
Molecular FormulaC8H15FN4
Molecular Weight186.23 g/mol
Exact Mass186.13
IUPAC Name1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine
SMILES[H]/N=C(\CF)N1/C(=N/[H])C(C)NCC1C
InChIInChI=1S/C8H15FN4/c1-5-4-12-6(2)8(11)13(5)7(10)3-9/h5-6,10-12H,3-4H2,1-2H3/b10-7+,11-8+
InChIKeyKCIHRLUSHKDFCA-AMMQDNIMSA-N
XLogP0.59
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine?
The IUPAC name of 1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine (CID 144563745) is 1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine.
What is the SMILES notation for 1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine?
The canonical SMILES for 1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine is [H]/N=C(\CF)N1/C(=N/[H])C(C)NCC1C.
What is the InChIKey of 1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine?
The InChIKey is KCIHRLUSHKDFCA-AMMQDNIMSA-N. The full InChI is InChI=1S/C8H15FN4/c1-5-4-12-6(2)8(11)13(5)7(10)3-9/h5-6,10-12H,3-4H2,1-2H3/b10-7+,11-8+.
What are the key properties of 1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine?
1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine has a molecular weight of 186.23 g/mol, XLogP of 0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethanimidoyl)-3,6-dimethylpiperazin-2-imine is sourced from PubChem (CID 144563745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).