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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

CAS 32018-96-5
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

BUILDING BLOCK

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SUPPLIERS

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01

PEGS Boston Summit
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LinkChem

China
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1-benzyl-4-methylpiperidin-3-one

CAS Number : 32018-96-5

End Use API :

About the Company : LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core focus includes: custom synthesis, process development, and manufacturing of key...

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PEGS Boston Summit
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PEGS Boston Summit
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4-Methyl-1-(phenylMethyl)-3-piperidinone

CAS Number : 32018-96-5

End Use API :

About the Company : Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplying, and custom synsthesis latest chemicals. Our products cover all kinds of range...

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END USE APIs

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LGM Pharma

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Metrochem API Private Lim...

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Dr. Reddy's Laboratories

DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Aarti Pharmalabs

Aarti Pharmalabs is a partner of choice for pharmaceutical companies for APIs & Intermediates. Largest Indian producer of Caffeine.

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