Diphenyl(Quinuclidin-4-Yl)Methanol

Chemistry, 1 End Use API, 8 Related Intermediates

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1 Intermediates

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Also known as: 461648-39-5, 1-azabicyclo[2.2.2]oct-4-yl(diphenyl)methanol, (1-azabicyclo[2.2.2]oct-4-yl)(diphenyl)methanol, Diphenyl(4-quinuclidinyl)methanol, 1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol, Mfcd03257303

Molecular Formula

C₂₀H₂₃NO

Molecular Weight

293.4 g/mol

InChI Key

VUUAKOZGGDHCRP-UHFFFAOYSA-N

1 2D Structure

Diphenyl(Quinuclidin-4-Yl)Methanol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol

2.1.2 InChI

InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-11-14-21(15-12-19)16-13-19/h1-10,22H,11-16H2

2.1.3 InChI Key

VUUAKOZGGDHCRP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN2CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 461648-39-5

2. 1-azabicyclo[2.2.2]oct-4-yl(diphenyl)methanol

3. (1-azabicyclo[2.2.2]oct-4-yl)(diphenyl)methanol

4. Diphenyl(4-quinuclidinyl)methanol

5. 1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol

6. Mfcd03257303

7. Oprea1_569800

8. Schembl3984030

9. Chembl1186757

10. Chembopharma Kb-64884

11. 1-azabicyclo[2.2.2]octane-4-methanol, Alpha,alpha-diphenyl-

12. Amy30048

13. Bcp14258

14. Cs-m1579

15. Stk177311

16. Zinc27910809

17. Akos027339741

18. Sb17913

19. Cs-13098

20. Sy249699

21. F11916

22. 1-azabicyclo[2.2.2]oct -4-yl(diphenyl)methanol

23. A919126

24. 1-azabicyclo[2.2.2]octane-4-methanol, ,-diphenyl-

25. 1-azabicyclo[2.2.2]octane-4-methanol,a,a-diphenyl-

26. 1-azabicyclo[2.2.2]octane-4-methanol, A,a-diphenyl-

2.3 Create Date

2008-02-20

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₃NO
Molecular Weight	293.4 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	293.177964357 g/mol
Monoisotopic Mass	293.177964357 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	341
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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CAS Number

461648-39-5

Intermediate Name

Diphenyl(quinuclidin-4-yl)methanol

About the Company

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...

Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.

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