Cas no 305381-06-0 (2-(4-Isopropylpiperazin-1-yl)isonicotinonitrile)
305381-06-0 structure
Product Name:2-(4-Isopropylpiperazin-1-yl)isonicotinonitrile
CAS No:305381-06-0
MF:C13H18N4
MW:230.308822154999
CID:1082521
PubChem ID:18671525
Update Time:2025-04-20
2-(4-Isopropylpiperazin-1-yl)isonicotinonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-Isopropylpiperazin-1-yl)isonicotinonitrile
- 2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile
- 2-[4-(1-methylethyl)-1-piperazinyl]-4-Pyridinecarbonitrile
- ZUVNOPFZEAWVCM-UHFFFAOYSA-N
- Z368832276
- DB-216875
- SCHEMBL6924625
- 2-(4-isopropyl-piperazin-1-yl)-isonicotinonitrile
- AKOS009277606
- 2-[4-(propan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile
- 305381-06-0
-
- Inchi： 1S/C13H18N4/c1-11(2)16-5-7-17(8-6-16)13-9-12(10-14)3-4-15-13/h3-4,9,11H,5-8H2,1-2H3
- InChI Key： ZUVNOPFZEAWVCM-UHFFFAOYSA-N
- SMILES： N1(C(C)C)CCN(C2C=C(C#N)C=CN=2)CC1
Computed Properties
- Exact Mass: 230.153146591g/mol
- Monoisotopic Mass: 230.153146591g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- 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: 1.6
- Topological Polar Surface Area: 43.2?2
2-(4-Isopropylpiperazin-1-yl)isonicotinonitrile Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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