chempirical

cis-tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylate

C10H19FN2O2CAS 577691-56-6218.27 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
Stereocentres
R, Sin SMILES atom order

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
577691-56-6
SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@H](C1)F)N
InChIKey
ZQRYPCAUVKVMLZ-JGVFFNPUSA-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/t7-,8+/m0/s1

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Names and synonyms

1 names
  • tert-Butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate

Work with cis-tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylate

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.

1-Boc-3-fluoro-4-aminopiperidine934536-10-4Stereo not defined rac-tert-Butyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylate907544-16-5Diastereomer tert-Butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate907544-20-1

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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