CAS 58258-01-8

1 2D Structure

CAS 58258-01-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-benzhydryloxypiperidine

2.1.2 InChI

InChI=1S/C18H21NO/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-17-11-13-19-14-12-17/h1-10,17-19H,11-14H2

2.1.3 InChI Key

OQAOREVBRZVXDS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1OC(C2=CC=CC=C2)C3=CC=CC=C3

2.2 Other Identifiers

2.2.1 UNII

Z2QV6QD5VV

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 58258-01-8

2. 4-(benzhydryloxy)piperidine

3. 4-benzhydryloxypiperidine

4. 4-benzhydryloxy-piperidine

5. Desalkylebastine

6. Desalkyl Ebastine

7. Piperidine, 4-(diphenylmethoxy)-

8. Z2qv6qd5vv

9. 4-(4-benzhydryloxy)piperidine

10. 4-(diphenylmethoxy)-piperidine

11. Desalkyl Ebastine-[d5]

12. Unii-z2qv6qd5vv

13. 4-diphenylmethoxypiperidine

14. 4-diphenylmethoxy-piperidine

15. Schembl1802062

16. Dtxsid00388512

17. Mfcd06659472

18. Zinc22056059

19. Akos015910915

20. Sb37794

21. Db-053175

22. Cs-0342012

23. Ft-0640517

24. C16027

25. A831806

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₁NO
Molecular Weight	267.4 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	267.162314293 g/mol
Monoisotopic Mass	267.162314293 g/mol
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	245
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