Cas no 652154-16-0 (1-Piperazinecarboxamide, N-methyl-4-(phenylmethyl)-, dihydrate)
652154-16-0 structure
Product Name:1-Piperazinecarboxamide, N-methyl-4-(phenylmethyl)-, dihydrate
CAS No:652154-16-0
MF:C13H23N3O3
MW:269.34002327919
CID:402185
PubChem ID:69883617
Update Time:2025-04-19
1-Piperazinecarboxamide, N-methyl-4-(phenylmethyl)-, dihydrate Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperazinecarboxamide, N-methyl-4-(phenylmethyl)-, dihydrate
- 4-benzyl-N-methylpiperazine-1-carboxamide,dihydrate
- 652154-16-0
- 4-Benzyl-N-methylpiperazine-1-carboxamide--water (1/2)
- 4-benzyl-N-methylpiperazine-1-carboxamide;dihydrate
- SCHEMBL6743398
- DTXSID30741474
-
- Inchi： 1S/C13H19N3O.2H2O/c1-14-13(17)16-9-7-15(8-10-16)11-12-5-3-2-4-6-12;;/h2-6H,7-11H2,1H3,(H,14,17);2*1H2
- InChI Key： RDTRSTCIEQCWAU-UHFFFAOYSA-N
- SMILES： O=C(NC)N1CCN(CC2C=CC=CC=2)CC1.O.O
Computed Properties
- Exact Mass: 269.17394160g/mol
- Monoisotopic Mass: 269.17394160g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 243
- 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: 37.6?2
1-Piperazinecarboxamide, N-methyl-4-(phenylmethyl)-, dihydrate Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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