1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine

C7H13FN4 — CID 144563774

IUPAC1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine
SMILES[H]/N=C(\CF)N1/C(=N/[H])CNCC1C
InChIInChI=1S/C7H13FN4/c1-5-3-11-4-7(10)12(5)6(9)2-8/h5,9-11H,2-4H2,1H3/b9-6+,10-7+
InChIKeyJMRPZYUVVBBQNX-KZZDLZNXSA-N
MW172.21 g/mol
LogP0.20
Rot. Bonds1

About 1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine

1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine (PubChem CID 144563774) has the molecular formula C7H13FN4 and a molecular weight of 172.21 g/mol. Its IUPAC name is 1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine.

Molecular Properties

Compound Name1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine
PubChem CID144563774
Molecular FormulaC7H13FN4
Molecular Weight172.21 g/mol
Exact Mass172.11
IUPAC Name1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine
SMILES[H]/N=C(\CF)N1/C(=N/[H])CNCC1C
InChIInChI=1S/C7H13FN4/c1-5-3-11-4-7(10)12(5)6(9)2-8/h5,9-11H,2-4H2,1H3/b9-6+,10-7+
InChIKeyJMRPZYUVVBBQNX-KZZDLZNXSA-N
XLogP0.20
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.20
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)-6-methylpiperazin-2-imine?
The IUPAC name of 1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine (CID 144563774) is 1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine.
What is the SMILES notation for 1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine?
The canonical SMILES for 1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine is [H]/N=C(\CF)N1/C(=N/[H])CNCC1C.
What is the InChIKey of 1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine?
The InChIKey is JMRPZYUVVBBQNX-KZZDLZNXSA-N. The full InChI is InChI=1S/C7H13FN4/c1-5-3-11-4-7(10)12(5)6(9)2-8/h5,9-11H,2-4H2,1H3/b9-6+,10-7+.
What are the key properties of 1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine?
1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine has a molecular weight of 172.21 g/mol, XLogP of 0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethanimidoyl)-6-methylpiperazin-2-imine is sourced from PubChem (CID 144563774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).