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

C₁₆H₂₂N₂O₄CAS 162046-66-4306.36 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

Identifiers

CAS number

162046-66-4

SMILES

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

InChIKey

BEDWYXZFIYMEJG-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid

Work with 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid

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

1-(1,1-Dimethylethyl) 4-(4-carboxyphenyl)-1-piperidinecarboxylate149353-75-367 % similar 2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid149353-95-758 % similar tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate571188-59-557 % similar 1,1-Dimethylethyl 4-(6-nitro-3-pyridinyl)-1-piperazinecarboxylate571189-16-752 % similar 4-(Diethylamino)benzoic acid5429-28-750 % similar 4-Boc-1-piperazineacetic acid156478-71-648 % similar N-Boc-piperazine57260-71-648 % similar 4-[(1,1-Dimethylethoxy)carbonyl]-α-phenyl-1-piperazineacetic acid347186-49-647 % similar

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

Elsewhere

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