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

C12H24N2O2CAS 475272-54-9228.34 g/mol

Open in Covalent MOL file
NHNOO
CarbamateSecondary 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 Ų
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.

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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

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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 tert-Butyl (3S)-3-ethylpiperazine-1-carboxylate928025-56-364 % 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

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

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