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Also known as: 1628047-87-9, G6cm4y7l6k, 1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine dihydrochloride, 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;dihydrochloride, 1-([2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl)piperazine 2hcl salt, 1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine dihydrochloride
Molecular Formula
C19H29Cl3N2
Molecular Weight
391.8  g/mol
InChI Key
KISZDCHFJKYNFW-UHFFFAOYSA-N
FDA UNII
G6CM4Y7L6K

CAS 1628047-87-9
1 2D Structure

CAS 1628047-87-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;dihydrochloride
2.1.2 InChI
InChI=1S/C19H27ClN2.2ClH/c1-19(2)8-7-16(14-22-11-9-21-10-12-22)18(13-19)15-3-5-17(20)6-4-15;;/h3-6,21H,7-14H2,1-2H3;2*1H
2.1.3 InChI Key
KISZDCHFJKYNFW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCNCC3)C.Cl.Cl
2.2 Other Identifiers
2.2.1 UNII
G6CM4Y7L6K
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1628047-87-9

2. G6cm4y7l6k

3. 1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazine Dihydrochloride

4. 1-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazine;dihydrochloride

5. 1-([2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl)piperazine 2hcl Salt

6. 1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine Dihydrochloride

7. 1-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazine Dihydrochloride

8. 1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-(1,1'-biphenyl)-2-yl)methyl)piperazine Dihydrochloride

9. 1-([2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl)piperazine Dihydrochloride Salt

10. 1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine Dihydrochloride Salt

11. Piperazine, 1-((2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl)methyl)-, Hydrochloride (1:2)

12. Unii-g6cm4y7l6k

13. Ec 941-920-0

14. Amy344

15. Schembl16030555

16. Bcp15128

17. Cs-b1506

18. Mfcd28334264

19. Akos025289806

20. Ds-7611

21. Sb17749

22. Ac-29962

23. Db-120777

24. P14646

25. A882796

26. 1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine Dihcl

27. 1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine 2hcl

28. 1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazinedihydrochloride

2.4 Create Date
2015-02-13
3 Chemical and Physical Properties
Molecular Weight 391.8 g/mol
Molecular Formula C19H29Cl3N2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass390.139632 g/mol
Monoisotopic Mass390.139632 g/mol
Topological Polar Surface Area15.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

BUILDING BLOCK

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