(R)-4-Boc-2-methylpiperazine

C₁₀H₂₀N₂O₂CAS 163765-44-4200.28 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₀H₂₀N₂O₂
Molar mass: 200.28 g/mol
Exact mass: 200.1525 Da
logP: 1.22Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0
Stereocentres: Rin SMILES atom order

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage86% of notifiers
H319 Causes serious eye irritation14% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 50 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

163765-44-4

SMILES

C[C@@H]1CN(CCN1)C(=O)OC(C)(C)C

InChIKey

FMLPQHJYUZTHQS-MRVPVSSYSA-N

InChI

InChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(R)-1-Boc-3-methylpiperazine

Work with (R)-4-Boc-2-methylpiperazine

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)-4-N-Boc-2-methylpiperazine147081-29-6Enantiomer tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-9Stereo not defined

Similar compounds

Tetrt-butyl5-methyl-1,4-diazepane-1-carboxylate194032-42-376 % similar (S)-1-N-Boc-3-isopropylpiperazine475272-54-972 % similar tert-Butyl 3-ethylpiperazine-1-carboxylate438049-35-566 % similar tert-Butyl (3S)-3-ethylpiperazine-1-carboxylate928025-56-366 % similar (R)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester278788-66-264 % similar 4-N-Boc-2-hydroxymethylpiperazine301673-16-564 % similar 1,1-Dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylate314741-40-764 % similar 4-[(tert-Butoxy)carbonyl]piperazine-2-carboxylic acid128019-59-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl n-((1r,3r)-3-aminocyclopentyl)carbamate1009075-44-8 tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate1049730-81-5 3-(N-Boc-methylaminomethyl)azetidine1053655-53-0 tert-Butyl 1,4-diazepane-1-carboxylate112275-50-0 (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-8 tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-2 1-Boc-3-aminopiperidine144243-24-3

Elsewhere

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