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Chemistry

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Also known as: Chembl4517408, 2600795-07-9, M4k2009, M2z, Orb2653202, Schembl25882884

Molecular Formula

C₂₅H₂₉N₃O₃

Molecular Weight

419.5 g/mol

InChI Key

RKBYYWVZFBATHQ-UHFFFAOYSA-N

1 2D Structure

1-[4-[4-Methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine

2.1.2 InChI

InChI=1S/C25H29N3O3/c1-17-21(18-5-7-20(8-6-18)28-11-9-26-10-12-28)15-27-16-22(17)19-13-23(29-2)25(31-4)24(14-19)30-3/h5-8,13-16,26H,9-12H2,1-4H3

2.1.3 InChI Key

RKBYYWVZFBATHQ-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Chembl4517408

2. 2600795-07-9

3. M4k2009

4. M2z

5. Orb2653202

6. Schembl25882884

7. (r)-skbg-1?

8. Glxc-22407

9. Bdbm50528194

10. Ex-a10164

11. M4k2009?

2.3 Create Date

2018-07-25

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₉N₃O₃
Molecular Weight	419.5 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	55.9
Heavy Atom Count	31
Formal Charge	0
Complexity	522
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