CAS 57184-25-5

1 2D Structure

CAS 57184-25-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(cyclopropylmethyl)piperazine

2.1.2 InChI

InChI=1S/C8H16N2/c1-2-8(1)7-10-5-3-9-4-6-10/h8-9H,1-7H2

2.1.3 InChI Key

IVLIBVDZIYFXBZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1CN2CCNCC2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 57184-25-5

2. Piperazine, 1-(cyclopropylmethyl)-

3. Mfcd00872053

4. 1-cyclopropylmethylpiperazine

5. 4-(cyclopropylmethyl)piperazine; N-(cyclopropylmethyl)piperazine

6. N-cyclopropylmethylpiperazine

7. Schembl92626

8. 1-cyclopropylmethyl-piperazine

9. 4-(cyclopropylmethyl)piperazine

10. 1-(cyclopropylmethyl)-piperazine

11. Amy5266

12. Dtxsid80359487

13. Bcp11899

14. Bbl034798

15. Stl426793

16. Zinc19735889

17. 1-(cyclopropylmethyl)piperazine, 97%

18. Akos000319545

19. Ac-2789

20. Pb26040

21. Ds-10729

22. Sy002916

23. Sy310269

24. 1-(cyclopropylmethyl)piperazine 97

25. Bb 0237085

26. Cs-0011260

27. Ft-0678135

28. Ft-0690727

29. En300-49539

30. A831339

31. J-503543

2.3 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₆N₂
Molecular Weight	140.23 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	140.131348519 g/mol
Monoisotopic Mass	140.131348519 g/mol
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	104
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

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CAS 57184-25-5

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