1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline

2.1.2 InChI

InChI=1S/C17H28N4O/c1-19-9-11-21(12-10-19)14-5-7-20(8-6-14)15-3-4-16(18)17(13-15)22-2/h3-4,13-14H,5-12,18H2,1-2H3

2.1.3 InChI Key

WDQZQPCYVLHWRA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)N)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 761440-75-9

2. 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline

3. 2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)benzenamine

4. Benzenamine, 2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-

5. Mfcd12827955

6. 2-methoxy-4-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-phenylamine

7. Schembl517468

8. Amy4705

9. Dtxsid70672152

10. Bcp00171

11. Cs-m0379

12. Zinc40448755

13. Akos015851840

14. Sb17989

15. Ac-29965

16. Ds-12903

17. Sy102207

18. Ft-0649446

19. 2-methoxy-4-[4-(4-methylpiperazino)piperidino]aniline

20. 2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidyl]aniline

21. 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline, Aldrichcpr

22. 2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)benzenamine;2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)aniline

2.3 Create Date

2010-06-21

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₈N₄O
Molecular Weight	304.4 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	304.22631153 g/mol
Monoisotopic Mass	304.22631153 g/mol
Topological Polar Surface Area	45 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	338
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

CAS 761440-75-9