Cas no 54468-04-1 (2-Piperidinone, 1-chloro-)
2-Piperidinone, 1-chloro- structure
Product Name:2-Piperidinone, 1-chloro-
CAS No:54468-04-1
MF:C5H8ClNO
MW:133.576120376587
CID:354493
PubChem ID:3707777
Update Time:2025-04-19
2-Piperidinone, 1-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Piperidinone, 1-chloro-
- 1-chloropiperidin-2-one
- 54468-04-1
- DTXSID20395324
-
- Inchi： 1S/C5H8ClNO/c6-7-4-2-1-3-5(7)8/h1-4H2
- InChI Key： VZATVEIENQFSTB-UHFFFAOYSA-N
- SMILES： ClN1C(CCCC1)=O
Computed Properties
- Exact Mass: 133.02954
- Monoisotopic Mass: 133.029
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 105
- 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: 0.8
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
2-Piperidinone, 1-chloro- Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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