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2D Structure
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

1 2D Structure

2D Structure

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