chempirical

3-N-Boc-aminomethylpiperidine

C11H22N2O2CAS 142643-29-6214.31 g/mol

Open in Covalent MOL file
OONHNH
CarbamateSecondary 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

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)

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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

Similar compounds

1,7-Bis-boc-1,4,7-triazaheptane117499-16-854 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-954 % similar N-Boc-(R)-1-amino-2-propanol119768-44-451 % similar 1,1-Dimethylethyl N-[(3R)-3-piperidinylmethyl]carbamate879275-33-951 % similar (R)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid132696-45-848 % similar N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-148 % similar N-Boc-1,3-diaminopropane hydrochloride127346-48-945 % similar tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate127199-44-444 % 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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