4-amino-6-fluoropiperidin-2-one

C5H9FN2O — CID 75002056

IUPAC4-amino-6-fluoropiperidin-2-one
SMILESNC1CC(=O)NC(F)C1
InChIInChI=1S/C5H9FN2O/c6-4-1-3(7)2-5(9)8-4/h3-4H,1-2,7H2,(H,8,9)
InChIKeyPVVQIZSDXHZCGC-UHFFFAOYSA-N
MW132.14 g/mol
LogP-0.48
Rot. Bonds

About 4-amino-6-fluoropiperidin-2-one

4-amino-6-fluoropiperidin-2-one (PubChem CID 75002056) has the molecular formula C5H9FN2O and a molecular weight of 132.14 g/mol. Its IUPAC name is 4-amino-6-fluoropiperidin-2-one.

Molecular Properties

Compound Name4-amino-6-fluoropiperidin-2-one
PubChem CID75002056
Molecular FormulaC5H9FN2O
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name4-amino-6-fluoropiperidin-2-one
SMILESNC1CC(=O)NC(F)C1
InChIInChI=1S/C5H9FN2O/c6-4-1-3(7)2-5(9)8-4/h3-4H,1-2,7H2,(H,8,9)
InChIKeyPVVQIZSDXHZCGC-UHFFFAOYSA-N
XLogP-0.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-fluoropiperidin-2-one?
The IUPAC name of 4-amino-6-fluoropiperidin-2-one (CID 75002056) is 4-amino-6-fluoropiperidin-2-one.
What is the SMILES notation for 4-amino-6-fluoropiperidin-2-one?
The canonical SMILES for 4-amino-6-fluoropiperidin-2-one is NC1CC(=O)NC(F)C1.
What is the InChIKey of 4-amino-6-fluoropiperidin-2-one?
The InChIKey is PVVQIZSDXHZCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O/c6-4-1-3(7)2-5(9)8-4/h3-4H,1-2,7H2,(H,8,9).
What are the key properties of 4-amino-6-fluoropiperidin-2-one?
4-amino-6-fluoropiperidin-2-one has a molecular weight of 132.14 g/mol, XLogP of -0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-fluoropiperidin-2-one is sourced from PubChem (CID 75002056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).