CAS 300543-56-0

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Also known as: 300543-56-0, (r)-1-[(4-chlorophenyl)phenylmethyl]piperazine, Norchlorcyclizine, (-)-, Piperazine, 1-[(r)-(4-chlorophenyl)phenylmethyl]-, (r)-(-)-1-[(4-chlorophenyl)phenylmethyl]piperazine, (r)-1-(p-chlorobenzhydryl)piperazine

Molecular Formula

C₁₇H₁₉ClN₂

Molecular Weight

286.8 g/mol

InChI Key

UZKBSZSTDQSMDR-QGZVFWFLSA-N

FDA UNII

890A9G29PG

1 2D Structure

CAS 300543-56-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine

2.1.2 InChI

InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2/t17-/m1/s1

2.1.3 InChI Key

UZKBSZSTDQSMDR-QGZVFWFLSA-N

2.1.4 Canonical SMILES

C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

2.1.5 Isomeric SMILES

C1CN(CCN1)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

2.2 Other Identifiers

2.2.1 UNII

890A9G29PG

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 300543-56-0

2. (r)-1-[(4-chlorophenyl)phenylmethyl]piperazine

3. Norchlorcyclizine, (-)-

4. Piperazine, 1-[(r)-(4-chlorophenyl)phenylmethyl]-

5. (r)-(-)-1-[(4-chlorophenyl)phenylmethyl]piperazine

6. (r)-1-(p-chlorobenzhydryl)piperazine

7. 1-[(r)-(4-chlorophenyl)-phenylmethyl]piperazine

8. 890a9g29pg

9. 1-[(r)-(4-chlorophenyl)(phenyl)methyl]piperazine

10. Piperazine, 1-((r)-(4-chlorophenyl)phenylmethyl)-

11. (-)-1-[(4-chlorophenyl)phenylmethyl]piperazine

12. (-)-1-((4-chlorophenyl)phenylmethyl)piperazine

13. (r)-1-((4-chlorophenyl)phenylmethyl)piperazine

14. Unii-890a9g29pg

15. (-)-norchlorcyclizine

16. 1-[(r)-(4-chlorophenyl)phenylmethyl]-piperazine

17. Schembl588655

18. Chembl3771137

19. Mfcd11519277

20. Zinc19363630

21. Akos015900420

22. Akos016016508

23. Ac-26786

24. Ds-16464

25. (r)-n-(4-chlorobenzyl Hydryl) Piperazine

26. Chlorobenzhydryl Piperazine [usp-rs]

27. Db-068198

28. A5547

29. Cs-0156606

30. Cs-0200360

31. [(1r)(4-chlorophenyl)phenylmethyl]piperazine

32. J3.610.329i

33. 1-[(r)-(4-chlorophenyl)phenylmethyl]piperazine

34. 543c560

35. J-017749

36. Q27269970

37. 1-[(r)-(4-chlorophenyl)phenylmethyl]piperazine,

38. (r)-1-((4-chlorophenyl)(phenyl)methyl)piperazine (cetirizine Impurity)

2.4 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₉ClN₂
Molecular Weight	286.8 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	286.1236763 g/mol
Monoisotopic Mass	286.1236763 g/mol
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	277
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1