chempirical

2-[2-[4-(Diphenylmethyl)-1-piperazinyl]ethoxy]ethanol

C21H28N2O2CAS 3733-63-9340.47 g/mol

Open in Covalent MOL file
HOONN
AlcoholEtherTertiary amine

Properties

Molecular formula
C21H28N2O2
Molar mass
340.47 g/mol
Exact mass
340.2151 Da
Boiling point
185 °C
logP
2.40Crippen estimate
Polar surface area
35.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
8

Identifiers

CAS number
3733-63-9
SMILES
OCCOCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIKey
OXBBIHZWNDPBMQ-UHFFFAOYSA-N
InChI
InChI=1S/C21H28N2O2/c24-16-18-25-17-15-22-11-13-23(14-12-22)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21,24H,11-18H2

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Names and synonyms

5 names
  • Ethanol, 2-[2-[4-(diphenylmethyl)-1-piperazinyl]ethoxy]-
  • UCB 1402
  • Decloxizine
  • NSC 289116
  • 2-[2-(4-Benzhydrylpiperazin-1-yl)ethoxy]ethanol

Work with 2-[2-[4-(Diphenylmethyl)-1-piperazinyl]ethoxy]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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hydroxydiethylphenamine13073-96-692 % similar (±)-Hydroxyzine68-88-283 % similar Hydroxyzine hydrochloride2192-20-377 % similar 2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol109806-71-560 % similar (-)-Cetirizine130018-77-853 % similar Cetirizine83881-51-053 % similar Hydroxyzine pamoate10246-75-050 % similar Levocetirizine dihydrochloride130018-87-050 % similar

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

Elsewhere

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