CAS 771-99-3

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Also known as: 771-99-3, 4-phenyl-piperidine, Piperidine, 4-phenyl-, 4-phenyl piperidine, Mfcd00006002, 4-(phenyl)piperidine

Molecular Formula

C₁₁H₁₅N

Molecular Weight

161.24 g/mol

InChI Key

UTBULQCHEUWJNV-UHFFFAOYSA-N

FDA UNII

8V8IM567WT

1 2D Structure

CAS 771-99-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-phenylpiperidine

2.1.2 InChI

InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2

2.1.3 InChI Key

UTBULQCHEUWJNV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1C2=CC=CC=C2

2.2 Other Identifiers

2.2.1 UNII

8V8IM567WT

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-phenylpiperidine, (r)-isomer

2. 4-phenylpiperidine, (s)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 771-99-3

2. 4-phenyl-piperidine

3. Piperidine, 4-phenyl-

4. 4-phenyl Piperidine

5. Mfcd00006002

6. 4-(phenyl)piperidine

7. Chembl20969

8. 8v8im567wt

9. Nsc-89743

10. 4-phenylpiperidine 97%

11. 4-phenypiperdine

12. 4-phenyl Piperidin

13. Einecs 212-243-1

14. Nsc 89743

15. (4-phenyl)piperidine

16. 4-phenylpiperidine, 97%

17. Schembl4574

18. Unii-8v8im567wt

19. Ampd00098

20. Utbulqcheuwjnv-uhfffaoysa-

21. Dtxsid40227890

22. Albb-005772

23. Cs-d0605

24. Nsc89743

25. Str04023

26. Zinc1575604

27. Bdbm50007408

28. Stk500866

29. 4-phenyl-1,2,3,5-tetrahydropyridine

30. Akos000208931

31. Ab00564

32. Am85909

33. Lf-0512

34. Ac-23131

35. Sy005151

36. Db-031653

37. A9776

38. Bb 0237057

39. Ft-0619411

40. P1555

41. 771p993

42. Q-102142

43. Q4637198

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₅N
Molecular Weight	161.24 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	161.120449483 g/mol
Monoisotopic Mass	161.120449483 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	121
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