2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol

C₁₉H₂₃ClN₂OCAS 109806-71-5330.86 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Tertiary amine

Properties

Molecular formula: C₁₉H₂₃ClN₂O
Molar mass: 330.86 g/mol
Exact mass: 330.1499 Da
Boiling point: 205–208 °C (at 0.1 Torr)
logP: 3.04Crippen estimate
Polar surface area: 26.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Identifiers

CAS number

109806-71-5

SMILES

OCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

InChIKey

ZJQSBXXYLQGZBR-UHFFFAOYSA-N

InChI

InChI=1S/C19H23ClN2O/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)22-12-10-21(11-13-22)14-15-23/h1-9,19,23H,10-15H2

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Names and synonyms

3 names

1-Piperazineethanol, 4-[(4-chlorophenyl)phenylmethyl]-
1-Piperazineethanol, 4-(p-chloro-α-phenylbenzyl)-
4-[(4-Chlorophenyl)phenylmethyl]-1-piperazineethanol

Work with 2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol

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

(±)-Hydroxyzine68-88-276 % similar Hydroxyzine hydrochloride2192-20-371 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine130018-88-160 % similar (-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine300543-56-060 % similar Norchlorcyclizine303-26-460 % similar 2-[2-[4-(Diphenylmethyl)-1-piperazinyl]ethoxy]ethanol3733-63-960 % similar Meclizine569-65-359 % similar (-)-Cetirizine130018-77-858 % similar

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

Same formula

Cinchonan-9-ol, hydrochloride (1:?), (9S)-24302-67-8

Elsewhere

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