1-Boc-4-(2-carboxyphenyl)piperazine

C₁₆H₂₂N₂O₄CAS 444582-90-5306.36 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₆H₂₂N₂O₄
Molar mass: 306.36 g/mol
Exact mass: 306.1580 Da
logP: 2.44Crippen estimate
Polar surface area: 70.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

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

444582-90-5

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C(=O)O

InChIKey

SSBZXKJSOFJQBW-UHFFFAOYSA-N

InChI

InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-10-8-17(9-11-18)13-7-5-4-6-12(13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20)

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Names and synonyms

1 names

2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)benzoic acid

Work with 1-Boc-4-(2-carboxyphenyl)piperazine

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

2-Morpholinobenzoic acid42106-48-957 % similar tert-Butyl 4-benzylpiperazine-1-carboxylate57260-70-552 % similar 1-(1,1-Dimethylethyl) 4-(4-carboxyphenyl)-1-piperidinecarboxylate149353-75-352 % similar tert-Butyl hydrogen phthalate33693-84-451 % similar 4-(4-Aminophenyl)piperazine-1-carboxylic acid tert-butyl ester170911-92-951 % similar tert-Butyl 4-(4-bromophenyl)piperazine-1-carboxylate352437-09-351 % similar 4-[(1,1-Dimethylethoxy)carbonyl]-α-phenyl-1-piperazineacetic acid347186-49-651 % similar 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid149353-95-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid162046-66-4

Elsewhere

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