Cas no 168253-02-9 (1-Piperidinecarbonylchloride, 2-methyl-, (S)- (9CI))
168253-02-9 structure
Product Name:1-Piperidinecarbonylchloride, 2-methyl-, (S)- (9CI)
CAS No:168253-02-9
MF:C7H12ClNO
MW:161.629281044006
CID:111083
PubChem ID:45081356
Update Time:2025-04-18
1-Piperidinecarbonylchloride, 2-methyl-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperidinecarbonylchloride, 2-methyl-, (S)- (9CI)
- (2S)-2-methylpiperidine-1-carbonyl chloride
- 1-Piperidinecarbonyl chloride, 2-methyl-, (S)- (9CI)
- DTXSID70664537
- QMIKDOBDKNYLGB-LURJTMIESA-N
- SCHEMBL15008286
- (S)-2-Methyl-piperidine-1-carbonyl chloride
- (5)-2-Methyl-piperidine-1-carbonyl chloride
- 168253-02-9
-
- Inchi： 1S/C7H12ClNO/c1-6-4-2-3-5-9(6)7(8)10/h6H,2-5H2,1H3/t6-/m0/s1
- InChI Key： QMIKDOBDKNYLGB-LURJTMIESA-N
- SMILES： ClC(N1CCCC[C@@H]1C)=O
Computed Properties
- Exact Mass: 161.06086
- Monoisotopic Mass: 161.061
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 138
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.1
- Topological Polar Surface Area: 20.3A^2
Experimental Properties
- PSA: 20.31
1-Piperidinecarbonylchloride, 2-methyl-, (S)- (9CI) Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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