CAS 461648-39-5

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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

CAS 461648-39-5

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