tert-Butyl 4-aminomethyl-4-fluoropiperidine-1-carboxylate

C₁₁H₂₁FN₂O₂CAS 620611-27-0232.30 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate Primary amine

Properties

Molecular formula: C₁₁H₂₁FN₂O₂
Molar mass: 232.30 g/mol
Exact mass: 232.1587 Da
logP: 1.68Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

620611-27-0

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CN)F

InChIKey

FCYNTMBZASDPHJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H21FN2O2/c1-10(2,3)16-9(15)14-6-4-11(12,8-13)5-7-14/h4-8,13H2,1-3H3

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Names and synonyms

1 names

4-Aminomethyl-4-fluoro-piperidine-1-carboxylic acid tert-butyl ester

Work with tert-Butyl 4-aminomethyl-4-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

Similar compounds

1,1-Dimethylethyl 4-fluoro-4-(hydroxymethyl)-1-piperidinecarboxylate614730-97-169 % similar tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate392331-66-765 % similar tert-Butyl 4,4-difluoropiperidine-1-carboxylate281652-10-665 % similar 1-(1,1-Dimethylethyl) 4-methyl 4-(aminomethyl)-1,4-piperidinedicarboxylate362703-35-359 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-456 % similar 1-Boc-4-fluoro-4-piperidinecarboxylic acid614731-04-356 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-956 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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