1-(4-fluoropiperidin-1-yl)ethanimine

C7H13FN2 — CID 59020781

IUPAC1-(4-fluoropiperidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCC(F)CC1
InChIInChI=1S/C7H13FN2/c1-6(9)10-4-2-7(8)3-5-10/h7,9H,2-5H2,1H3/b9-6+
InChIKeyMVVXSLZZMYFHTE-RMKNXTFCSA-N
MW144.19 g/mol
LogP1.42
Rot. Bonds

About 1-(4-fluoropiperidin-1-yl)ethanimine

1-(4-fluoropiperidin-1-yl)ethanimine (PubChem CID 59020781) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-(4-fluoropiperidin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(4-fluoropiperidin-1-yl)ethanimine
PubChem CID59020781
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name1-(4-fluoropiperidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCC(F)CC1
InChIInChI=1S/C7H13FN2/c1-6(9)10-4-2-7(8)3-5-10/h7,9H,2-5H2,1H3/b9-6+
InChIKeyMVVXSLZZMYFHTE-RMKNXTFCSA-N
XLogP1.42
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-fluoropiperidin-1-yl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoropiperidin-1-yl)ethanimine?
The IUPAC name of 1-(4-fluoropiperidin-1-yl)ethanimine (CID 59020781) is 1-(4-fluoropiperidin-1-yl)ethanimine.
What is the SMILES notation for 1-(4-fluoropiperidin-1-yl)ethanimine?
The canonical SMILES for 1-(4-fluoropiperidin-1-yl)ethanimine is [H]/N=C(\C)N1CCC(F)CC1.
What is the InChIKey of 1-(4-fluoropiperidin-1-yl)ethanimine?
The InChIKey is MVVXSLZZMYFHTE-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H13FN2/c1-6(9)10-4-2-7(8)3-5-10/h7,9H,2-5H2,1H3/b9-6+.
What are the key properties of 1-(4-fluoropiperidin-1-yl)ethanimine?
1-(4-fluoropiperidin-1-yl)ethanimine has a molecular weight of 144.19 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropiperidin-1-yl)ethanimine is sourced from PubChem (CID 59020781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).