Cas no 280111-37-7 (Piperidine, 4-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-1-(phenylmethyl)-)
280111-37-7 structure
Product Name:Piperidine, 4-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-1-(phenylmethyl)-
CAS No:280111-37-7
MF:C16H22N4
MW:270.372683048248
CID:1433626
PubChem ID:12183796
Update Time:2025-04-20
Piperidine, 4-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-1-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1-benzyl-4-(3,5-dimethyl-[1,2,4]triazol-4-yl)-piperidine
- Piperidine, 4-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-1-(phenylmethyl)-
- 1-benzyl-4-(3,5-dimethyl-4h-1,2,4-triazol-4-yl)piperidine
- C93104
- 280111-37-7
- SCHEMBL5634112
-
- Inchi： 1S/C16H22N4/c1-13-17-18-14(2)20(13)16-8-10-19(11-9-16)12-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3
- InChI Key： AOKWKTBXLHHQQP-UHFFFAOYSA-N
- SMILES： N1(CC2C=CC=CC=2)CCC(CC1)N1C(C)=NN=C1C
Computed Properties
- Exact Mass: 270.18444672g/mol
- Monoisotopic Mass: 270.18444672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 285
- 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: 2.2
- Topological Polar Surface Area: 34?2
Piperidine, 4-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-1-(phenylmethyl)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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