Cas no 159304-24-2 ((2,3-DIMETHOXY-6[[4-PHENYLMETHYL)-1-PIPERAZINYL]METHYL]PHENOL DIHYDROCHLORIDE)
159304-24-2 structure
Product Name:(2,3-DIMETHOXY-6[[4-PHENYLMETHYL)-1-PIPERAZINYL]METHYL]PHENOL DIHYDROCHLORIDE
CAS No:159304-24-2
MF:C20H28Cl2N2O3
MW:415.353923797607
CID:137547
PubChem ID:56845850
Update Time:2025-04-19
(2,3-DIMETHOXY-6[[4-PHENYLMETHYL)-1-PIPERAZINYL]METHYL]PHENOL DIHYDROCHLORIDE Chemical and Physical Properties
Names and Identifiers
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- (2,3-DIMETHOXY-6[[4-PHENYLMETHYL)-1-PIPERAZINYL]METHYL]PHENOL DIHYDROCHLORIDE
- 159304-24-2
- AKOS015911357
- 6-[(4-Benzyl-1-piperazinyl)methyl]-2,3-dimethoxyphenol dihydrochloride
- 6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenol;dihydrochloride
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- Inchi: 1S/C20H26N2O3.2ClH/c1-24-18-9-8-17(19(23)20(18)25-2)15-22-12-10-21(11-13-22)14-16-6-4-3-5-7-16;;/h3-9,23H,10-15H2,1-2H3;2*1H
- InChI Key: MTBHSTNTYZXUBR-UHFFFAOYSA-N
- SMILES: Cl.Cl.OC1C(=C(C=CC=1CN1CCN(CC2C=CC=CC=2)CC1)OC)OC
Computed Properties
- Exact Mass: 414.14800
- Monoisotopic Mass: 414.1476981g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 6
- Complexity: 381
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 45.2?2
Experimental Properties
- PSA: 45.17000
- LogP: 4.20700
(2,3-DIMETHOXY-6[[4-PHENYLMETHYL)-1-PIPERAZINYL]METHYL]PHENOL DIHYDROCHLORIDE Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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