CAS 1628047-87-9

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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

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 Formula	C₁₉H₂₉Cl₃N₂
Molecular Weight	391.8 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	390.139632 g/mol
Monoisotopic Mass	390.139632 g/mol
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	402
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	3