tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate

C10H19FN2O2 — CID 156905265

IUPACtert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1[C@@H](N)CNC[C@@H]1F
InChIInChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)8-6(11)4-13-5-7(8)12/h6-8,13H,4-5,12H2,1-3H3/t6-,7-,8?/m0/s1
InChIKeyNSZSGTLXXGVPQM-WPZUCAASSA-N
MW218.27 g/mol
LogP0.21
Rot. Bonds1

About tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate

tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate (PubChem CID 156905265) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate
PubChem CID156905265
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Nametert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1[C@@H](N)CNC[C@@H]1F
InChIInChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)8-6(11)4-13-5-7(8)12/h6-8,13H,4-5,12H2,1-3H3/t6-,7-,8?/m0/s1
InChIKeyNSZSGTLXXGVPQM-WPZUCAASSA-N
XLogP0.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate?
The IUPAC name of tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate (CID 156905265) is tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate?
The canonical SMILES for tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate is CC(C)(C)OC(=O)C1[C@@H](N)CNC[C@@H]1F.
What is the InChIKey of tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate?
The InChIKey is NSZSGTLXXGVPQM-WPZUCAASSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)8-6(11)4-13-5-7(8)12/h6-8,13H,4-5,12H2,1-3H3/t6-,7-,8?/m0/s1.
What are the key properties of tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate?
tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate has a molecular weight of 218.27 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-4-carboxylate is sourced from PubChem (CID 156905265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).