Cas no 88441-25-2 (1-Naphthalenecarbonitrile, 4-[(4-phenyl-1-piperazinyl)methyl]-)
![1-Naphthalenecarbonitrile, 4-[(4-phenyl-1-piperazinyl)methyl]- structure](https://ossimg.kuujia.com/scimg/88500/88441-25-2x500.png)
88441-25-2 structure
Product Name:1-Naphthalenecarbonitrile, 4-[(4-phenyl-1-piperazinyl)methyl]-
CAS No:88441-25-2
MF:C22H21N3
MW:327.422244787216
CID:632644
PubChem ID:71317987
Update Time:2025-04-19
1-Naphthalenecarbonitrile, 4-[(4-phenyl-1-piperazinyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarbonitrile, 4-[(4-phenyl-1-piperazinyl)methyl]-
- 4-[(4-phenylpiperazin-1-yl)methyl]naphthalene-1-carbonitrile
- DTXSID00748177
- 88441-25-2
-
- Inchi： 1S/C22H21N3/c23-16-18-10-11-19(22-9-5-4-8-21(18)22)17-24-12-14-25(15-13-24)20-6-2-1-3-7-20/h1-11H,12-15,17H2
- InChI Key： BNKVBXPLZSCIOE-UHFFFAOYSA-N
- SMILES： N1(CC2=CC=C(C#N)C3C=CC=CC2=3)CCN(C2C=CC=CC=2)CC1
Computed Properties
- Exact Mass: 327.173547683g/mol
- Monoisotopic Mass: 327.173547683g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 467
- 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: 4.3
- Topological Polar Surface Area: 30.3?2
1-Naphthalenecarbonitrile, 4-[(4-phenyl-1-piperazinyl)methyl]- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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