tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate

C₁₀H₂₀N₂O₃CAS 205434-75-9216.28 g/mol

Open in Covalent MOL file

Alcohol Carbamate Secondary amine

Properties

Molecular formula: C₁₀H₂₀N₂O₃
Molar mass: 216.28 g/mol
Exact mass: 216.1474 Da
logP: 0.19Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

205434-75-9

SMILES

CC(C)(C)OC(=O)N1CCNCC1CO

InChIKey

BCPPNDHZUPIXJM-UHFFFAOYSA-N

InChI

InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-6-8(12)7-13/h8,11,13H,4-7H2,1-3H3

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Names and synonyms

1 names

1-N-Boc-2-(hydroxymethyl)piperazine

Work with tert-Butyl 2-(hydroxymethyl)piperazine-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 (2R)-2-ethyl-1-piperazinecarboxylate393781-70-973 % similar 1,1-Dimethylethyl (2S)-2-(2-methylpropyl)-1-piperazinecarboxylate674792-06-470 % similar tert-Butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate161511-85-968 % similar tert-Butyl 2-(hydroxymethyl)azetidine-1-carboxylate174346-82-868 % similar tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-264 % similar 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-564 % similar (R)-1-N-Boc-2-methylpiperazine170033-47-364 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-164 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl (3R,4R)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate1207853-71-1 tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate140645-53-0 (R)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester278788-66-2 4-N-Boc-2-hydroxymethylpiperazine301673-16-5 1,1-Dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylate314741-40-7 3-Aminomethyl-4-boc-morpholine475106-18-4 1,1-Dimethylethyl N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]carbamate663948-85-4 (S)-N-Boc-2-aminomethylmorpholine879403-42-6

Elsewhere

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