1,1-Dimethylethyl (2S)-2-(phenylmethyl)-1-piperazinecarboxylate

C₁₆H₂₄N₂O₂CAS 169447-86-3276.38 g/mol

Open in Covalent MOL file

Secondary Amine

Properties

Molecular formula: C₁₆H₂₄N₂O₂
Molar mass: 276.38 g/mol
Exact mass: 276.1838 Da
logP: 2.44Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

169447-86-3

SMILES

CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1

InChIKey

QKUHUJCLUFLGCI-AWEZNQCLSA-N

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-12-14(18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m0/s1

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

Names and synonyms

3 names

1-Piperazinecarboxylic acid, 2-(phenylmethyl)-, 1,1-dimethylethyl ester, (2S)-
1-Piperazinecarboxylic acid, 2-(phenylmethyl)-, 1,1-dimethylethyl ester, (S)-
(S)-1-Boc-2-benzylpiperazine

Work with 1,1-Dimethylethyl (2S)-2-(phenylmethyl)-1-piperazinecarboxylate

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

Same formula

1,1-Dimethylethyl 2-(phenylmethyl)-1-piperazinecarboxylate481038-63-5 (±)-Molindone7416-34-4

Elsewhere

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