Cas no 28920-63-0 (Propanedioic acid,2-(4-methyl-1-piperazinyl)-, 1,3-diethyl ester)
28920-63-0 structure
Product Name:Propanedioic acid,2-(4-methyl-1-piperazinyl)-, 1,3-diethyl ester
CAS No:28920-63-0
MF:C12H22N2O4
MW:258.314083576202
CID:280473
PubChem ID:206938
Update Time:2025-04-19
Propanedioic acid,2-(4-methyl-1-piperazinyl)-, 1,3-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,2-(4-methyl-1-piperazinyl)-, 1,3-diethyl ester
- diethyl 2-(4-methylpiperazin-1-yl)propanedioate
- 28920-63-0
- DTXSID30183118
- BRN 0797569
- 1,3-Propanedioic acid, 2-(4-methyl-1-piperazinyl)-, diethyl ester
- Diethyl 2-(4-methyl-1-piperazinyl)-1,3-propanedioate
-
- Inchi： 1S/C12H22N2O4/c1-4-17-11(15)10(12(16)18-5-2)14-8-6-13(3)7-9-14/h10H,4-9H2,1-3H3
- InChI Key： ZPZXWIMJTOZCFL-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)N1CCN(C)CC1)=O
Computed Properties
- Exact Mass: 258.15806
- Monoisotopic Mass: 258.15795719g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 270
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 59.1?2
Experimental Properties
- PSA: 59.08
Propanedioic acid,2-(4-methyl-1-piperazinyl)-, 1,3-diethyl ester Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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