tert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate

C12H23FN2O3 — CID 91370461

IUPACtert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](OCCF)C1
InChIInChI=1S/C12H23FN2O3/c1-12(2,3)18-11(16)15-6-4-9(14)10(8-15)17-7-5-13/h9-10H,4-8,14H2,1-3H3/t9-,10+/m1/s1
InChIKeySORKVIJKROFDTL-ZJUUUORDSA-N
MW262.32 g/mol
LogP1.31
Rot. Bonds3

About tert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate

tert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate (PubChem CID 91370461) has the molecular formula C12H23FN2O3 and a molecular weight of 262.32 g/mol. Its IUPAC name is tert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate
PubChem CID91370461
Molecular FormulaC12H23FN2O3
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Nametert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](OCCF)C1
InChIInChI=1S/C12H23FN2O3/c1-12(2,3)18-11(16)15-6-4-9(14)10(8-15)17-7-5-13/h9-10H,4-8,14H2,1-3H3/t9-,10+/m1/s1
InChIKeySORKVIJKROFDTL-ZJUUUORDSA-N
XLogP1.31
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate (CID 91370461) is tert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](OCCF)C1.
What is the InChIKey of tert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate?
The InChIKey is SORKVIJKROFDTL-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H23FN2O3/c1-12(2,3)18-11(16)15-6-4-9(14)10(8-15)17-7-5-13/h9-10H,4-8,14H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of tert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate?
tert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate has a molecular weight of 262.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 91370461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).