tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate

C₁₁H₂₂N₂O₂CAS 140645-23-4214.31 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: 1.59Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed89.4% 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 life83% of notifiers

Aggregated from 47 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

140645-23-4

SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)CN

InChIKey

WPWXYQIMXTUMJB-SECBINFHSA-N

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(R)-N-Boc-3-aminomethylpiperidine

Work with tert-Butyl (3R)-3-(aminomethyl)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.

(S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-5Enantiomer 1-Boc-3-(aminomethyl)piperidine162167-97-7Stereo not defined

Similar compounds

(R)-N-Boc-3-(aminomethyl)pyrrolidine199174-29-384 % similar (S)-1-Boc-3-(aminomethyl)pyrrolidine199175-10-584 % similar 1-Boc-3-(aminomethyl)azetidine325775-44-873 % similar N-Boc-piperidine-3-methanol116574-71-171 % similar tert-Butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate140695-84-771 % similar tert-Butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate140695-85-871 % similar tert-Butyl 3-(2-hydroxyethyl)piperidine-1-carboxylate146667-84-771 % similar 1-Boc-3-bromomethylpiperidine193629-39-971 % 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 N-((piperidin-2-yl)methyl)carbamate141774-61-0 3-N-Boc-aminomethylpiperidine142643-29-6 1-Boc-4-(aminomethyl)piperidine144222-22-0

Elsewhere

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