CAS 414910-15-9

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2 End Use APIs
27 Related Intermediates

Chemistry

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Also known as: 414910-15-9, Tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate, Mfcd03930967, Schembl2048225, Tert-butyl 4-cyclopropanecarbonylpiperazine-1-carboxylate, Amy5310

Molecular Formula

C₁₃H₂₂N₂O₃

Molecular Weight

254.33 g/mol

InChI Key

IREXWNMKXDFMFW-UHFFFAOYSA-N

1 2D Structure

CAS 414910-15-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate

2.1.2 InChI

InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-8-6-14(7-9-15)11(16)10-4-5-10/h10H,4-9H2,1-3H3

2.1.3 InChI Key

IREXWNMKXDFMFW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CC2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 414910-15-9

2. Tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate

3. Mfcd03930967

4. Schembl2048225

5. Tert-butyl 4-cyclopropanecarbonylpiperazine-1-carboxylate

6. Amy5310

7. Dtxsid10359536

8. Tert-butyl4-(cyclopropanecarbonyl)piperazine-1-carboxylate

9. Zinc586747

10. Bcp17328

11. Cs-m1240

12. Stk124130

13. Akos000494341

14. Ac-30401

15. Da-22249

16. Ds-16338

17. Sy115466

18. (4-boc-1-piperazinyl)(cyclopropyl)methanone

19. Ft-0725115

20. F31269

21. A873050

22. 1-tertbutoxycarbonyl-4-(cyclopropanecarbonyl) Piperazine

23. T-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate

24. Tert-butyl 4-(cyclopropylcarbonyl)piperazine-1-carboxylate

25. 4-cyclopropanoyl-piperazine-1-carboxylic Acid, Tert-butyl Ester

26. Tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate, Aldrichcpr

2.3 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₂N₂O₃
Molecular Weight	254.33 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	254.16304257 g/mol
Monoisotopic Mass	254.16304257 g/mol
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	337
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