rac-tert-Butyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylate

C₁₀H₁₉FN₂O₂CAS 907544-16-5218.27 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate Primary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0
Stereocentres: R, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

907544-16-5

SMILES

CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)F)N

InChIKey

ZQRYPCAUVKVMLZ-HTQZYQBOSA-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-/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

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

Work with rac-tert-Butyl (3R,4R)-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 tert-Butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate907544-20-1Diastereomer cis-tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylate577691-56-6Diastereomer

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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