6-fluoro-1-propanimidoylpiperidin-2-imine

C8H14FN3 — CID 155700518

IUPAC6-fluoro-1-propanimidoylpiperidin-2-imine
SMILES[H]/N=C(\CC)N1/C(=N/[H])CCCC1F
InChIInChI=1S/C8H14FN3/c1-2-7(10)12-6(9)4-3-5-8(12)11/h6,10-11H,2-5H2,1H3/b10-7+,11-8+
InChIKeyZSGBNGCLQVZNDW-AMMQDNIMSA-N
MW171.22 g/mol
LogP2.13
Rot. Bonds1

About 6-fluoro-1-propanimidoylpiperidin-2-imine

6-fluoro-1-propanimidoylpiperidin-2-imine (PubChem CID 155700518) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 6-fluoro-1-propanimidoylpiperidin-2-imine.

Molecular Properties

Compound Name6-fluoro-1-propanimidoylpiperidin-2-imine
PubChem CID155700518
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name6-fluoro-1-propanimidoylpiperidin-2-imine
SMILES[H]/N=C(\CC)N1/C(=N/[H])CCCC1F
InChIInChI=1S/C8H14FN3/c1-2-7(10)12-6(9)4-3-5-8(12)11/h6,10-11H,2-5H2,1H3/b10-7+,11-8+
InChIKeyZSGBNGCLQVZNDW-AMMQDNIMSA-N
XLogP2.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-propanimidoylpiperidin-2-imine?
The IUPAC name of 6-fluoro-1-propanimidoylpiperidin-2-imine (CID 155700518) is 6-fluoro-1-propanimidoylpiperidin-2-imine.
What is the SMILES notation for 6-fluoro-1-propanimidoylpiperidin-2-imine?
The canonical SMILES for 6-fluoro-1-propanimidoylpiperidin-2-imine is [H]/N=C(\CC)N1/C(=N/[H])CCCC1F.
What is the InChIKey of 6-fluoro-1-propanimidoylpiperidin-2-imine?
The InChIKey is ZSGBNGCLQVZNDW-AMMQDNIMSA-N. The full InChI is InChI=1S/C8H14FN3/c1-2-7(10)12-6(9)4-3-5-8(12)11/h6,10-11H,2-5H2,1H3/b10-7+,11-8+.
What are the key properties of 6-fluoro-1-propanimidoylpiperidin-2-imine?
6-fluoro-1-propanimidoylpiperidin-2-imine has a molecular weight of 171.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-propanimidoylpiperidin-2-imine is sourced from PubChem (CID 155700518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).