2-(Aminomethyl)-1-boc-piperidine

C₁₁H₂₂N₂O₂CAS 370069-31-1214.31 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₁H₂₂N₂O₂
Molar mass: 214.31 g/mol
Exact mass: 214.1681 Da
logP: 1.73Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers
H400 Very toxic to aquatic life95.3% 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+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

370069-31-1

SMILES

CC(C)(C)OC(=O)N1CCCCC1CN

InChIKey

PTVRCUVHYMGECC-UHFFFAOYSA-N

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-8,12H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate

Work with 2-(Aminomethyl)-1-boc-piperidine

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)-2-Aminomethyl-1-N-boc-piperidine683233-14-9Defined stereoisomer

Similar compounds

(S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-891 % similar (+-)-2-(Aminomethyl)-1-N-Boc-pyrrolidine177911-87-491 % similar N-Boc-piperidine-2-methanol157634-00-970 % similar tert-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate118811-03-368 % similar 3-Aminomethyl-4-boc-morpholine475106-18-464 % similar 3-(1-(tert-Butoxycarbonyl)piperidin-2-yl)propanoic acid669713-96-664 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-163 % similar (S)-(-)-1-Boc-2-pyrrolidinemethanol69610-40-863 % 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

PubChem CAS Common Chemistry NIST WebBook