tert-Butyl 3-(methylamino)piperidine-1-carboxylate

C₁₁H₂₂N₂O₂CAS 392331-89-4214.31 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₁H₂₂N₂O₂
Molar mass: 214.31 g/mol
Exact mass: 214.1681 Da
logP: 1.61Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed88.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life88.4% of notifiers

Aggregated from 43 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, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

392331-89-4

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)NC

InChIKey

XRRRUOWSHGFPTI-UHFFFAOYSA-N

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-6-9(8-13)12-4/h9,12H,5-8H2,1-4H3

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Names and synonyms

1 names

1-Boc-3-methylaminopiperidine

Work with tert-Butyl 3-(methylamino)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

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.

(R)-1-N-Boc-3-methylaminopiperidine203941-94-0Defined stereoisomer

Similar compounds

1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-284 % similar 1-Pyrrolidinecarboxylicacid,3-(methylamino)-,1,1-dimethylethylester,(R)-(9ci)199336-83-984 % similar 1-Boc-3-methylaminopyrrolidine454712-26-684 % similar 1-Boc-3-methylaminoazetidine454703-20-973 % similar 1-Boc-4-methylaminopiperidine147539-41-169 % similar (R)-1-Boc-3-hydroxypiperidine143900-43-062 % similar (S)-1-Boc-3-hydroxypiperidine143900-44-162 % similar 1-Boc-3-aminopiperidine144243-24-362 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-N-Boc-4-N-methyl-aminopiperidine108612-54-0 4-(Boc-aminomethyl)piperidine135632-53-0 1,1-Dimethylethyl N-[(2S)-2-piperidinylmethyl]carbamate139004-93-6 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate139004-96-9 tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-4 (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-5 tert-Butyl N-((piperidin-2-yl)methyl)carbamate141774-61-0 3-N-Boc-aminomethylpiperidine142643-29-6

Elsewhere

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