Cas no 217816-47-2 (4-(1-piperazinyl)-Isoquinoline)
217816-47-2 structure
Product Name:4-(1-piperazinyl)-Isoquinoline
CAS No:217816-47-2
MF:C13H15N3
MW:213.278302431107
CID:1109139
PubChem ID:11769830
Update Time:2025-04-20
4-(1-piperazinyl)-Isoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 4-(1-piperazinyl)-Isoquinoline
- CHEMBL4583402
- 4-(1-Piperazinyl)isoquinoline
- AKOS013255730
- 4-piperazin-1-ylisoquinoline
- 217816-47-2
- NIBZKHUIJGTBOX-UHFFFAOYSA-N
- SCHEMBL6263602
- 4-(piperazin-1-yl)isoquinoline
-
- Inchi： 1S/C13H15N3/c1-2-4-12-11(3-1)9-15-10-13(12)16-7-5-14-6-8-16/h1-4,9-10,14H,5-8H2
- InChI Key： NIBZKHUIJGTBOX-UHFFFAOYSA-N
- SMILES： N1(C2C=NC=C3C=CC=CC=23)CCNCC1
Computed Properties
- Exact Mass: 213.12675
- Monoisotopic Mass: 213.126597491g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 225
- 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: 1.6
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 28.16
4-(1-piperazinyl)-Isoquinoline Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
-
Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
-
Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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