tert-Butyl 4-((pyridin-4-ylmethyl)amino)piperidine-1-carboxylate

C₁₆H₂₅N₃O₂CAS 206274-24-0291.39 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₆H₂₅N₃O₂
Molar mass: 291.39 g/mol
Exact mass: 291.1947 Da
logP: 2.57Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

206274-24-0

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NCC2=CC=NC=C2

InChIKey

KVEICFWHRVQJAL-UHFFFAOYSA-N

InChI

InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-6-14(7-11-19)18-12-13-4-8-17-9-5-13/h4-5,8-9,14,18H,6-7,10-12H2,1-3H3

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Names and synonyms

1 names

1-N-Boc-4-(4-pyridylmethylamino)piperidine

Work with tert-Butyl 4-((pyridin-4-ylmethyl)amino)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

1-N-Boc-4-(phenylamino)piperidine125541-22-257 % similar 1-Boc-4-methylaminopiperidine147539-41-155 % similar 1-Boc-4-(4-fluoro-phenylamino)-piperidine288573-56-854 % similar 1-Boc-4-(4-bromo-phenylamino)-piperidine443998-65-054 % similar 1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-250 % similar 1-Pyrrolidinecarboxylicacid,3-(methylamino)-,1,1-dimethylethylester,(R)-(9ci)199336-83-950 % similar 1-Boc-3-methylaminopyrrolidine454712-26-650 % similar Tetrt-butyl5-methyl-1,4-diazepane-1-carboxylate194032-42-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4-(4-methylpiperazin-1-yl) benzoic acid tertbutyl ester1034975-35-3

Elsewhere

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