Cas no 59281-47-9 (Piperazine, 3,5-dimethyl-1-(2-pyridinyl)-, trans- (9CI))
59281-47-9 structure
Product Name:Piperazine, 3,5-dimethyl-1-(2-pyridinyl)-, trans- (9CI)
CAS No:59281-47-9
MF:C11H17N3
MW:191.272782087326
CID:949924
PubChem ID:45115800
Update Time:2025-04-19
Piperazine, 3,5-dimethyl-1-(2-pyridinyl)-, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Piperazine, 3,5-dimethyl-1-(2-pyridinyl)-, trans- (9CI)
- (3S,5S)-3,5-dimethyl-1-pyridin-2-ylpiperazine
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- Inchi： 1S/C11H17N3/c1-9-7-14(8-10(2)13-9)11-5-3-4-6-12-11/h3-6,9-10,13H,7-8H2,1-2H3/t9-,10-/m0/s1
- InChI Key： BUEOWUQWTBKNCT-UWVGGRQHSA-N
- SMILES： N1(C2C=CC=CN=2)C[C@H](C)N[C@@H](C)C1
Computed Properties
- Exact Mass: 191.142
- Monoisotopic Mass: 191.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 173
- 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: 28.2A^2
- XLogP3: 1.5
Piperazine, 3,5-dimethyl-1-(2-pyridinyl)-, trans- (9CI) Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
59281-47-9 (Piperazine, 3,5-dimethyl-1-(2-pyridinyl)-, trans- (9CI)) Related Products
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