Cas no 917807-11-5 (Piperidine, 4-(3-ethyl-5-methyl-1H-1,2,4-triazol-1-yl)-1-(phenylmethyl)-)
917807-11-5 structure
Product Name:Piperidine, 4-(3-ethyl-5-methyl-1H-1,2,4-triazol-1-yl)-1-(phenylmethyl)-
CAS No:917807-11-5
MF:C17H24N4
MW:284.399263381958
CID:784357
PubChem ID:69580878
Update Time:2025-04-19
Piperidine, 4-(3-ethyl-5-methyl-1H-1,2,4-triazol-1-yl)-1-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- Piperidine, 4-(3-ethyl-5-methyl-1H-1,2,4-triazol-1-yl)-1-(phenylmethyl)-
- 1-benzyl-4-(3-ethyl-5-methyl-1,2,4-triazol-1-yl)piperidine
- SCHEMBL5820200
- DTXSID30740947
- 1-Benzyl-4-(3-ethyl-5-methyl-1H-1,2,4-triazol-1-yl)piperidine
- 917807-11-5
-
- Inchi： 1S/C17H24N4/c1-3-17-18-14(2)21(19-17)16-9-11-20(12-10-16)13-15-7-5-4-6-8-15/h4-8,16H,3,9-13H2,1-2H3
- InChI Key： KTIWDSAHPHGZJD-UHFFFAOYSA-N
- SMILES： N1(CC2C=CC=CC=2)CCC(CC1)N1C(C)=NC(CC)=N1
Computed Properties
- Exact Mass: 284.20009678g/mol
- Monoisotopic Mass: 284.20009678g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 308
- 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: 3.2
- Topological Polar Surface Area: 34?2
Piperidine, 4-(3-ethyl-5-methyl-1H-1,2,4-triazol-1-yl)-1-(phenylmethyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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