1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R)-4-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazin-2-one

2.1.2 InChI

InChI=1S/C14H20N2O3/c1-10-14(17)15-6-7-16(10)9-11-4-5-12(18-2)8-13(11)19-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,17)/t10-/m1/s1

2.1.3 InChI Key

VRRFLEAHVFVBIE-SNVBAGLBSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1383146-20-0

2. (3r)-4-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazin-2-one

3. Dtxsid10719934

4. Refchem:1050248

5. Dtxcid30670679

6. (r)-4-(2,4-dimethoxybenzyl)-3-methylpiperazin-2-one

7. Mfcd22372628

8. 2-piperazinone, 4-[(2,4-dimethoxyphenyl)methyl]-3-methyl-, (3r)-

9. Starbld0000596

10. Schembl14844548

11. Ifc14620

12. Akos022174798

13. Ds-7508

14. Ac-29346

15. Sy020657

16. Db-267093

17. Cs-0158239

18. Y10005

19. F340141

20. (r)-4-(24-dimethoxybenzyl)-3-methylpiperazin-2-one

21. (3r)-4-[(2,4-dimethoxyphenyl)methyl]-3-methyl-piperazin-2-one

2.3 Create Date

2012-06-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₀N₂O₃
Molecular Weight	264.32 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	50.8
Heavy Atom Count	19
Formal Charge	0
Complexity	311
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

1383146-20-0