tert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate

C15H20FN3O3 — CID 68504402

IUPACtert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(F)n2)CC1
InChIInChI=1S/C15H20FN3O3/c1-15(2,3)22-14(21)19-9-7-18(8-10-19)13(20)11-5-4-6-12(16)17-11/h4-6H,7-10H2,1-3H3
InChIKeyGOHLAZVVQWOLJZ-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.91
Rot. Bonds1

About tert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate

tert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate (PubChem CID 68504402) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is tert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate
PubChem CID68504402
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Nametert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(F)n2)CC1
InChIInChI=1S/C15H20FN3O3/c1-15(2,3)22-14(21)19-9-7-18(8-10-19)13(20)11-5-4-6-12(16)17-11/h4-6H,7-10H2,1-3H3
InChIKeyGOHLAZVVQWOLJZ-UHFFFAOYSA-N
XLogP1.91
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate 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 tert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate (CID 68504402) is tert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(F)n2)CC1.
What is the InChIKey of tert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is GOHLAZVVQWOLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3/c1-15(2,3)22-14(21)19-9-7-18(8-10-19)13(20)11-5-4-6-12(16)17-11/h4-6H,7-10H2,1-3H3.
What are the key properties of tert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-fluoropyridine-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 68504402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).