Phenyl N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamate

C₂₃H₂₃N₃O₃CAS 184177-81-9389.46 g/mol

Open in Covalent MOL file

Carbamate Phenol Tertiary amine

Properties

Molecular formula: C₂₃H₂₃N₃O₃
Molar mass: 389.46 g/mol
Exact mass: 389.1739 Da
logP: 4.33Crippen estimate
Polar surface area: 65.0 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4

Identifiers

CAS number

184177-81-9

SMILES

O=C(Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1)Oc1ccccc1

InChIKey

IKRKMYDCUZYKHX-UHFFFAOYSA-N

InChI

InChI=1S/C23H23N3O3/c27-21-12-10-20(11-13-21)26-16-14-25(15-17-26)19-8-6-18(7-9-19)24-23(28)29-22-4-2-1-3-5-22/h1-13,27H,14-17H2,(H,24,28)

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Names and synonyms

3 names

Carbamic acid, N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-, phenyl ester
Carbamic acid, [4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-, phenyl ester
[4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-phenyl]-carbamic acid phenyl ester

Work with Phenyl N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamate

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

(4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-244 % similar 1-Acetyl-4-(4-hydroxyphenyl)piperazine67914-60-744 % similar Phenyl 4-hydroxybenzoate17696-62-743 % similar 1-(4-Hydroxyphenyl)piperazine56621-48-841 % similar Osalmid526-18-141 % similar p-Hydroxyphenyl benzoate2444-19-140 % similar 4-[4-(4-Aminophenyl)-1-piperazinyl]phenol74853-08-040 % similar 4-[4-(4-Nitrophenyl)-1-piperazinyl]phenol112559-81-638 % similar

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

Elsewhere

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