3-N-Boc-aminomethylpiperidine

C₁₁H₂₂N₂O₂CAS 142643-29-6214.31 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: 1.51Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

142643-29-6

SMILES

CC(C)(C)OC(=O)NCC1CCCNC1

InChIKey

KHPQHXGYYXYTDN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

tert-Butyl N-[(piperidin-3-yl)methyl]carbamate

Work with 3-N-Boc-aminomethylpiperidine

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.

1,1-Dimethylethyl N-[(3R)-3-piperidinylmethyl]carbamate879275-33-9Defined stereoisomer

Similar compounds

3-Boc-aminomethylpyrrolidine149366-79-085 % similar (S)-3-N-Boc-aminomethyl pyrrolidine173340-26-685 % similar tert-Butyl N-(azetidin-3-ylmethyl)carbamate91188-15-771 % similar 2-Boc-aminomethylpyrrolidine149649-58-163 % similar 3-(Boc-amino)piperidine172603-05-363 % similar tert-Butyl N-[(3S)-piperidin-3-yl]carbamate216854-23-863 % similar (R)-3-(Boc-amino)piperidine309956-78-363 % similar tert-Butyl N-(((2R)-pyrrolidin-2-yl)methyl)carbamate719999-54-963 % 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 1-Boc-4-(aminomethyl)piperidine144222-22-0

Elsewhere

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