1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(2-piperidin-1-ylethoxy)benzoic acid

2.1.2 InChI

InChI=1S/C14H19NO3/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2,(H,16,17)

2.1.3 InChI Key

XARCCBKWQPACEO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 89407-98-7

2. 4-(2-(piperidin-1-yl)ethoxy)benzoic Acid

3. 4-(2-piperidin-1-ylethoxy)benzoic Acid

4. 4-[2-(piperidin-1-yl)ethoxy]benzoic Acid

5. Benzoic Acid,4-[2-(1-piperidinyl)ethoxy]-

6. Sr-01000945173

7. 4-(2-piperidinoethoxy)benzoic Acid

8. Benzoic Acid, 4-[2-(1-piperidinyl)ethoxy]-

9. Schembl1027972

10. Chembl3580432

11. Dtxsid40420889

12. Zinc6681910

13. 4-(2-piperidino Ethoxy)benzoic Acid

14. Bbl012629

15. Mfcd01871351

16. Stk744312

17. Akos000103057

18. 4-(2-piperidin-1-ylmethoxy)benzoic Acid

19. Vs-03420

20. Db-032135

21. Bb 0217869

22. Ft-0731346

23. A50710

24. Sr-01000945173-1

25. Sr-01000945173-2

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₉NO₃
Molecular Weight	249.30 g/mol
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	249.13649347 g/mol
Monoisotopic Mass	249.13649347 g/mol
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	256
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

CAS 89407-98-7