Cas no 56708-46-4 (1-[(4-fluorophenyl)carbonyl]-4-methylpiperazine hydrochloride)
56708-46-4 structure
Product Name:1-[(4-fluorophenyl)carbonyl]-4-methylpiperazine hydrochloride
CAS No:56708-46-4
MF:C12H16ClFN2O
MW:258.719645500183
CID:1599337
PubChem ID:3044065
Update Time:2025-04-21
1-[(4-fluorophenyl)carbonyl]-4-methylpiperazine hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 1-[(4-fluorophenyl)carbonyl]-4-methylpiperazine hydrochloride
- (4-fluorophenyl)-(4-methylpiperazin-1-yl)methanone,hydrochloride
- DTXSID40205274
- 1-(4-Fluorobenzoyl)-4-methylpiperazine hydrochloride
- Piperazine, 1-(4-fluorobenzoyl)-4-methyl-, monohydrochloride
- 56708-46-4
-
- Inchi: 1S/C12H15FN2O.ClH/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10;/h2-5H,6-9H2,1H3;1H
- InChI Key: RLVBCMSJUFVXBD-UHFFFAOYSA-N
- SMILES: Cl.FC1C=CC(=CC=1)C(N1CCN(C)CC1)=O
Computed Properties
- Exact Mass: 258.09368
- Monoisotopic Mass: 258.0935190g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 243
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 23.6?2
Experimental Properties
- PSA: 23.55
1-[(4-fluorophenyl)carbonyl]-4-methylpiperazine hydrochloride Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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