1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine hydrochloride (1:2)

C₂₃H₃₄Cl₂N₂O₂CAS 165377-44-6441.44 g/mol

Open in Covalent MOL file

Ether Tertiary amine

Properties

Molecular formula: C₂₃H₃₄Cl₂N₂O₂
Molar mass: 441.44 g/mol
Exact mass: 440.1997 Da
logP: 4.34Crippen estimate
Polar surface area: 24.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 9

Identifiers

CAS number

165377-44-6

SMILES

COc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC.Cl.Cl

InChIKey

XWOXAKBQEMQMFH-UHFFFAOYSA-N

InChI

InChI=1S/C23H32N2O2.2ClH/c1-26-22-11-10-21(19-23(22)27-2)12-14-25-17-15-24(16-18-25)13-6-9-20-7-4-3-5-8-20;;/h3-5,7-8,10-11,19H,6,9,12-18H2,1-2H3;2*1H

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Names and synonyms

3 names

Piperazine, 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)-, hydrochloride (1:2)
Piperazine, 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)-, dihydrochloride
SA 4503

Work with 1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine hydrochloride (1:2)

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

3,4-Dimethoxyphenethylamine120-20-748 % similar 2-(3,4-Dimethoxyphenyl)ethanol7417-21-248 % similar N-Methylhomoveratrylamine3490-06-045 % similar Verapamil hydrochloride152-11-444 % similar Verapamil hydrochloride23313-68-044 % similar 3,4-Dimethoxybenzeneacetonitrile93-17-443 % similar Veratrylamine5763-61-143 % similar Veratryl chloride7306-46-943 % similar

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

Elsewhere

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