tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate

C₁₁H₂₂N₂O₃CAS 392331-66-7230.31 g/mol

Open in Covalent MOL file

Alcohol Carbamate Primary amine

Properties

Molecular formula: C₁₁H₂₂N₂O₃
Molar mass: 230.31 g/mol
Exact mass: 230.1630 Da
logP: 0.71Crippen estimate
Polar surface area: 75.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

392331-66-7

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CN)O

InChIKey

XYWCDAFPRBDRER-UHFFFAOYSA-N

InChI

InChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-6-4-11(15,8-12)5-7-13/h15H,4-8,12H2,1-3H3

Weigh it out

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

Work with tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-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

Similar compounds

1,1-Dimethylethyl 3-(aminomethyl)-3-hydroxy-1-azetidinecarboxylate1008526-71-373 % similar tert-Butyl 4-aminomethyl-4-fluoropiperidine-1-carboxylate620611-27-065 % similar 1-Boc-4-methyl-piperidin-4-OL406235-30-163 % similar 1-(1,1-Dimethylethyl) 4-methyl 4-(aminomethyl)-1,4-piperidinedicarboxylate362703-35-359 % similar 1-Boc-4-(hydroxymethyl)-4-methyl-piperidine236406-21-657 % similar tert-Butyl 4,4-difluoropiperidine-1-carboxylate281652-10-656 % similar 4-Amino-1-boc-piperidine-4-carboxylic acid183673-71-456 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-[[(1,1-Dimethylethyl)amino]carbonyl]-3-methyl-L-valine101968-85-8 Leu-val13588-95-9 1,1-Dimethylethyl (2R,5R)-5-(hydroxymethyl)-2-methyl-1-piperazinecarboxylate1403898-64-5 tert-Butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate77279-24-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook