(S)-1-Boc-2-isopropylpiperazine

C₁₂H₂₄N₂O₂CAS 674792-05-3228.34 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₂H₂₄N₂O₂
Molar mass: 228.34 g/mol
Exact mass: 228.1838 Da
logP: 1.85Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

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

Aggregated from 7 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

674792-05-3

SMILES

CC(C)[C@H]1CNCCN1C(=O)OC(C)(C)C

InChIKey

NZTWGWFHWJARJX-SNVBAGLBSA-N

InChI

InChI=1S/C12H24N2O2/c1-9(2)10-8-13-6-7-14(10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3/t10-/m1/s1

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Names and synonyms

1 names

(2S)-2-Isopropylpiperazine, N1-BOC protected

Work with (S)-1-Boc-2-isopropylpiperazine

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

tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-272 % similar 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-572 % similar (R)-1-N-Boc-2-methylpiperazine170033-47-372 % similar 1,1-Dimethylethyl (2S)-2-(2-methylpropyl)-1-piperazinecarboxylate674792-06-465 % similar 1,1-Dimethylethyl (2R)-2-ethyl-1-piperazinecarboxylate393781-70-964 % similar tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate205434-75-963 % similar Hexahydro-pyrrolo[3,4-B]pyrrole-1-carboxylic acid tert-butyl ester185693-02-162 % similar 1-Boc-2-piperazinecarboxylic acid1214196-85-661 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(2-Aminoethyl)-1-boc-piperidine146093-46-1 (2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl ester165528-81-4 Dicyclohexylammonium nitrite3129-91-7 (S)-1-N-Boc-3-isopropylpiperazine475272-54-9

Elsewhere

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