Cas no 779272-48-9 (Piperidine,1-ethyl-3,4-dimethyl-4-phenyl-, (3R,4S)-rel-)
779272-48-9 structure
Product Name:Piperidine,1-ethyl-3,4-dimethyl-4-phenyl-, (3R,4S)-rel-
CAS No:779272-48-9
MF:C15H23N
MW:217.34982419014
CID:553241
Update Time:2022-07-27
Piperidine,1-ethyl-3,4-dimethyl-4-phenyl-, (3R,4S)-rel- Chemical and Physical Properties
Names and Identifiers
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- Piperidine,1-ethyl-3,4-dimethyl-4-phenyl-, (3R,4S)-rel-
- Piperidine,1-ethyl-3,4-dimethyl-4-phenyl-, trans- (9CI)
- Piperidine, 1-ethyl-3,4-dimethyl-4-phenyl-, trans- (9CI)
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- Inchi: 1S/C15H23N/c1-4-16-11-10-15(3,13(2)12-16)14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3/t13-,15-/m0/s1
- InChI Key: CYPZMPNGPYIQRA-ZFWWWQNUSA-N
- SMILES: N1(CC)CC[C@](C)(C2=CC=CC=C2)[C@@H](C)C1
Computed Properties
- Exact Mass: 217.183
- Monoisotopic Mass: 217.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 3.2A^2
Piperidine,1-ethyl-3,4-dimethyl-4-phenyl-, (3R,4S)-rel- Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
779272-48-9 (Piperidine,1-ethyl-3,4-dimethyl-4-phenyl-, (3R,4S)-rel-) Related Products
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