tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate

C10H19FN2O2 — CID 11736104

IUPACtert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](F)C1
InChIInChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13/h7-8H,4-6,12H2,1-3H3/t7-,8+/m0/s1
InChIKeyZQRYPCAUVKVMLZ-JGVFFNPUSA-N
MW218.27 g/mol
LogP1.29
Rot. Bonds

About tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate

tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate (PubChem CID 11736104) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
PubChem CID11736104
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Nametert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](F)C1
InChIInChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13/h7-8H,4-6,12H2,1-3H3/t7-,8+/m0/s1
InChIKeyZQRYPCAUVKVMLZ-JGVFFNPUSA-N
XLogP1.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate (CID 11736104) is tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](F)C1.
What is the InChIKey of tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate?
The InChIKey is ZQRYPCAUVKVMLZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13/h7-8H,4-6,12H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate?
tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate has a molecular weight of 218.27 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 11736104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).