tert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate

C14H25FN2O3 — CID 137434537

IUPACtert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2CCOC2)[C@@H](F)C1
InChIInChI=1S/C14H25FN2O3/c1-14(2,3)20-13(18)17-6-4-12(11(15)8-17)16-10-5-7-19-9-10/h10-12,16H,4-9H2,1-3H3/t10-,11+,12-/m1/s1
InChIKeyZBEGBNNNHLIKST-GRYCIOLGSA-N
MW288.36 g/mol
LogP1.71
Rot. Bonds2

About tert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate

tert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate (PubChem CID 137434537) has the molecular formula C14H25FN2O3 and a molecular weight of 288.36 g/mol. Its IUPAC name is tert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate
PubChem CID137434537
Molecular FormulaC14H25FN2O3
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Nametert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2CCOC2)[C@@H](F)C1
InChIInChI=1S/C14H25FN2O3/c1-14(2,3)20-13(18)17-6-4-12(11(15)8-17)16-10-5-7-19-9-10/h10-12,16H,4-9H2,1-3H3/t10-,11+,12-/m1/s1
InChIKeyZBEGBNNNHLIKST-GRYCIOLGSA-N
XLogP1.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-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 (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate (CID 137434537) is tert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2CCOC2)[C@@H](F)C1.
What is the InChIKey of tert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate?
The InChIKey is ZBEGBNNNHLIKST-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H25FN2O3/c1-14(2,3)20-13(18)17-6-4-12(11(15)8-17)16-10-5-7-19-9-10/h10-12,16H,4-9H2,1-3H3/t10-,11+,12-/m1/s1.
What are the key properties of tert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate?
tert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate has a molecular weight of 288.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 137434537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).