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Also known as: 761440-75-9, 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline, 2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)benzenamine, Benzenamine, 2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-, Mfcd12827955, 2-methoxy-4-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-phenylamine
Molecular Formula
C17H28N4O
Molecular Weight
304.4  g/mol
InChI Key
WDQZQPCYVLHWRA-UHFFFAOYSA-N

CAS 761440-75-9
1 2D Structure

CAS 761440-75-9

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 Weight 304.4 g/mol
Molecular Formula C17H28N4O
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass304.22631153 g/mol
Monoisotopic Mass304.22631153 g/mol
Topological Polar Surface Area45 Ų
Heavy Atom Count22
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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