chempirical

1-Boc-3-fluoro-4-aminopiperidine

C10H19FN2O2CAS 934536-10-4218.27 g/mol

Open in Covalent MOL file
OONFNH2
Alkyl halideCarbamatePrimary amine

Properties

Molecular formula
C10H19FN2O2
Molar mass
218.27 g/mol
Exact mass
218.1431 Da
logP
1.29Crippen estimate
Polar surface area
55.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
934536-10-4
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)F)N
InChIKey
ZQRYPCAUVKVMLZ-UHFFFAOYSA-N
InChI
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

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Names and synonyms

1 names
  • tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylate

Work with 1-Boc-3-fluoro-4-aminopiperidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

rac-tert-Butyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylate907544-16-5Defined stereoisomer tert-Butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate907544-20-1Defined stereoisomer cis-tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylate577691-56-6Defined stereoisomer

Similar compounds

1,1-Dimethylethyl (3S,4S)-3-amino-4-fluoro-1-pyrrolidinecarboxylate1009075-43-777 % similar 1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate1174020-30-477 % similar tert-Butyl (3R,4R)-3-amino-4-fluoropyrrolidine-1-carboxylate1441392-27-377 % similar tert-Butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate1174020-40-669 % similar 1,1-Dimethylethyl (3R,4S)-3-fluoro-4-hydroxy-1-piperidinecarboxylate1174020-42-869 % similar trans-tert-Butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate955028-82-764 % similar (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine147081-44-563 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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