tert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate

C16H24FN3O2 — CID 22321629

IUPACtert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCc2ccncc2F)CC1
InChIInChI=1S/C16H24FN3O2/c1-16(2,3)22-15(21)20-10-8-19(9-11-20)7-5-13-4-6-18-12-14(13)17/h4,6,12H,5,7-11H2,1-3H3
InChIKeySRDURONWBIMOEN-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.32
Rot. Bonds3

About tert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate (PubChem CID 22321629) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is tert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate
PubChem CID22321629
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC Nametert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCc2ccncc2F)CC1
InChIInChI=1S/C16H24FN3O2/c1-16(2,3)22-15(21)20-10-8-19(9-11-20)7-5-13-4-6-18-12-14(13)17/h4,6,12H,5,7-11H2,1-3H3
InChIKeySRDURONWBIMOEN-UHFFFAOYSA-N
XLogP2.32
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]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-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate (CID 22321629) is tert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCc2ccncc2F)CC1.
What is the InChIKey of tert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate?
The InChIKey is SRDURONWBIMOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-16(2,3)22-15(21)20-10-8-19(9-11-20)7-5-13-4-6-18-12-14(13)17/h4,6,12H,5,7-11H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate has a molecular weight of 309.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(3-fluoro-4-pyridinyl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 22321629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).