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CAS 32018-96-5
Also known as: 32018-96-5, 1-benzyl-4-methyl-piperidin-3-one, 4-methyl-1-(phenylmethyl)-3-piperidinone, 3-piperidinone, 4-methyl-1-(phenylmethyl)-, Mfcd16619159, Schembl1105751
Molecular Formula
C13H17NO
Molecular Weight
203.28  g/mol
InChI Key
BSBVJNUGGBQEPO-UHFFFAOYSA-N

1 2D Structure

CAS 32018-96-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-benzyl-4-methylpiperidin-3-one
2.1.2 InChI
InChI=1S/C13H17NO/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
2.1.3 InChI Key
BSBVJNUGGBQEPO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1CCN(CC1=O)CC2=CC=CC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 32018-96-5

2. 1-benzyl-4-methyl-piperidin-3-one

3. 4-methyl-1-(phenylmethyl)-3-piperidinone

4. 3-piperidinone, 4-methyl-1-(phenylmethyl)-

5. Mfcd16619159

6. Schembl1105751

7. Amy4191

8. Dtxsid00477278

9. 1-benzyl-4-methyl-3-piperidinone

10. 1-benzyl 4-methyl-piperidin-3-one

11. Akos007930647

12. Sb36567

13. Ac-27439

14. As-61188

15. Db-068566

16. A5763

17. Cs-0006817

18. Ft-0720137

19. En300-78889

20. 018m965

21. 1-benzyl-4-methylpiperidin-3-one 32018-96-5

22. 2-([(4-chlorophenyl)sulfonyl]amino)aceticacid

23. 1-benzyl-4-methyl-piperidin-3-one;1-benzyl-4-methylpiperidin-3-one

2.3 Create Date
2007-02-07
3 Chemical and Physical Properties
Molecular Weight 203.28 g/mol
Molecular Formula C13H17NO
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass203.131014166 g/mol
Monoisotopic Mass203.131014166 g/mol
Topological Polar Surface Area20.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and distributing of API and intermediates of generics all over the world. The intelligent and professional management and executive team have its expertise into pharmaceutical industries for many years. With the continuous approval of GSP certification, Vitalpharms has been the qualified vendor for the majority of TOP100 pharmaceutical companies in China. Over the past almost 20 years, Vitalpharms has carved a niche for itself in providing value added into import, export, marketing, distributing and project management services.
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1062580-52-2
Tofacitinib Citrate
Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and dis...
Vitalpharms is an excellent pharmaceutical company specializing into import and export, marketing and distributing of API and intermediates of generics all over the world. The intelligent and professional management and executive team have its expertise into pharmaceutical industries for many years. With the continuous approval of GSP certification, Vitalpharms has been the qualified vendor for the majority of TOP100 pharmaceutical companies in China. Over the past almost 20 years, Vitalpharms has carved a niche for itself in providing value added into import, export, marketing, distributing and project management services.
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