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Also known as: 761440-65-7, Mfcd18072517, 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine, Piperazine, 1-[1-(3-methoxy-4-nitrophenyl)-4-piperidinyl]-4-methyl-, Schembl375616, Amy4615
Molecular Formula
C17H26N4O3
Molecular Weight
334.4  g/mol
InChI Key
HNYSXOZEEKWPNM-UHFFFAOYSA-N

CAS 761440-65-7
1 2D Structure

CAS 761440-65-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
2.1.2 InChI
InChI=1S/C17H26N4O3/c1-18-9-11-20(12-10-18)14-5-7-19(8-6-14)15-3-4-16(21(22)23)17(13-15)24-2/h3-4,13-14H,5-12H2,1-2H3
2.1.3 InChI Key
HNYSXOZEEKWPNM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 761440-65-7

2. Mfcd18072517

3. 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine

4. Piperazine, 1-[1-(3-methoxy-4-nitrophenyl)-4-piperidinyl]-4-methyl-

5. Schembl375616

6. Amy4615

7. Dtxsid401171541

8. 1-[1-(3-methoxy-4-nitrophenyl)-4-piperidyl]-4-methylpiperazine

9. Bcp24648

10. 1-[1-(3-methoxy-4-nitrophenyl)-4-piperidinyl]-4-methylpiperazine

11. Zinc74938206

12. Akos027339034

13. Bs-29510

14. Sy275883

15. 1-[1(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine

16. 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4 Yl]-4-methylpiperazine

17. 1-[1-(3-methoxy-4-nitrophenyl)piperidine-4-yl]-4-methylpiperazine

18. 1-[1-(3-methoxy-4-nitro-phenyl)-piperidin-4-yl]-4-methyl-piperazine

2.3 Create Date
2012-03-08
3 Chemical and Physical Properties
Molecular Weight 334.4 g/mol
Molecular Formula C17H26N4O3
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass334.20049070 g/mol
Monoisotopic Mass334.20049070 g/mol
Topological Polar Surface Area64.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity415
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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