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CAS 385425-15-0

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CHEMISTRY

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Chemistry

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Also known as: 385425-15-0, 1-(4-iodophenyl)-2-piperidinone, 2-piperidinone, 1-(4-iodophenyl)-, 1-(4-iodo-phenyl)-piperidin-2-one, Mfcd04037128, 2-piperidinone,1-(4-iodophenyl)-

Molecular Formula

C₁₁H₁₂INO

Molecular Weight

301.12 g/mol

InChI Key

OYDSTJMVOOOYDW-UHFFFAOYSA-N

CAS 385425-15-0

1 2D Structure

CAS 385425-15-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-iodophenyl)piperidin-2-one

2.1.2 InChI

InChI=1S/C11H12INO/c12-9-4-6-10(7-5-9)13-8-2-1-3-11(13)14/h4-7H,1-3,8H2

2.1.3 InChI Key

OYDSTJMVOOOYDW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCN(C(=O)C1)C2=CC=C(C=C2)I

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 385425-15-0

2. 1-(4-iodophenyl)-2-piperidinone

3. 2-piperidinone, 1-(4-iodophenyl)-

4. 1-(4-iodo-phenyl)-piperidin-2-one

5. Mfcd04037128

6. 2-piperidinone,1-(4-iodophenyl)-

7. Schembl1919000

8. Dtxsid20625158

9. 1-(4-iodophenyl) Piperidin-2-one

10. Amy40469

11. Bcp08309

12. Cs-m2607

13. Zinc2524404

14. 1-(4-iodo-phenyl)piperidin-2-one

15. Akos009042613

16. He-0041

17. Sy040813

18. Ft-0682026

19. A854699

20. J-503330

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₂INO
Molecular Weight	301.12 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	300.99636 g/mol
Monoisotopic Mass	300.99636 g/mol
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	211
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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