(S)-1-N-Boc-3-isopropylpiperazine

C₁₂H₂₄N₂O₂CAS 475272-54-9228.34 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

475272-54-9

SMILES

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

InChIKey

UHLAQCKNCBYTIF-SNVBAGLBSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

(S)-1-Boc-3-isopropylpiperazine

Work with (S)-1-N-Boc-3-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 3-methylpiperazine-1-carboxylate120737-59-972 % similar (S)-4-N-Boc-2-methylpiperazine147081-29-672 % similar (R)-4-Boc-2-methylpiperazine163765-44-472 % similar tert-Butyl 3-ethylpiperazine-1-carboxylate438049-35-564 % similar (R)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester278788-66-263 % similar 4-N-Boc-2-hydroxymethylpiperazine301673-16-563 % similar 1,1-Dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylate314741-40-763 % similar Tetrt-butyl5-methyl-1,4-diazepane-1-carboxylate194032-42-362 % 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-Boc-2-isopropylpiperazine674792-05-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook