tert-Butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate

C₁₅H₂₃N₃O₂CAS 1198408-35-3277.37 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₅H₂₃N₃O₂
Molar mass: 277.37 g/mol
Exact mass: 277.1790 Da
logP: 2.78Crippen estimate
Polar surface area: 68.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

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

1198408-35-3

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CN=C(C=C2)N

InChIKey

UGJYTOMOCDGLRS-UHFFFAOYSA-N

InChI

InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)12-4-5-13(16)17-10-12/h4-5,10-11H,6-9H2,1-3H3,(H2,16,17)

Weigh it out

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

Work with tert-Butyl 4-(6-aminopyridin-3-yl)piperidine-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

4-P-Aminophenyl-1-boc-piperidine170011-57-169 % similar 1-(1,1-Dimethylethyl) 4-(4-carboxyphenyl)-1-piperidinecarboxylate149353-75-358 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-753 % similar (S)-tert-Butyl 3-(4-aminophenyl)piperidine-1-carboxylate1171197-20-852 % similar 3-(4-Amino-phenyl)-piperidine-1-carboxylic acid tert-butyl ester875798-79-152 % similar 1-Boc-hexahydro-1H-azepin-4-amine196613-57-749 % similar 1-Boc-4-(aminomethyl)piperidine144222-22-048 % similar (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine147081-44-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester170911-92-9

Elsewhere

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