4-Hydroxy-3,5-bis(4-methylpiperazin-1-yl)benzaldehyde

: Iupac Name：4-hydroxy-3,5-bis(4-methylpiperazin-1-yl)benzaldehyde; CAS No.: 915200-01-0; Molecular Weight：318.4; Modify Date.: 2022-10-29 15:55

1. Names and Identifiers

: 1.1 Name; 4-Hydroxy-3,5-bis(4-methylpiperazin-1-yl)benzaldehyde; 1.2 Synonyms; 3,5-Bis(4-methylpiperazine-1-yl)-4-hydroxybenzaldehyde Benzaldehyde, 4-hydroxy-3,5-bis(4-methyl-1-piperazinyl)- CTK3G4380 DTXSID00841990

1.6 Inchi: InChI=1S/C17H26N4O2/c1-18-3-7-20(8-4-18)15-11-14(13-22)12-16(17(15)23)21-9-5-19(2)6-10-21/h11-13,23H,3-10H2,1-2H3

2. Properties

3. Computational chemical data

Molecular Weight: 318.4g/mol
Molecular Formula: C₁₇H₂₆N₄O₂
Compound Is Canonicalized: True
XLogP3-AA: 0.9
Exact Mass: 318.20557608
Monoisotopic Mass: 318.20557608
Complexity: 360
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 6
Topological Polar Surface Area: 50.3
Heavy Atom Count: 23
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAABAAAAHgAACAAADAzhmAYyxoMAAgCIAixSwACCAAAlIgAAiAENbMgKZjLS1dOUcQhkwBHY2YeczADOIAAAQAQAEABAAACACAAgAAAAAAAAAA==

5. Realated Product Infomation

741252-05-1 4-Hydroxy-3-(4-methylpiperazin-1-ylmethyl)-benzaldehyde

628325-62-2 3-(4-Methylpiperazin-1-yl)benzaldehyde

859850-88-7 3-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZALDEHYDE

439691-80-2 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZALDEHYDE

1197193-42-2 2-Fluoro-4-(4-methylpiperazin-1-yl)benzaldehyde

1197193-16-0 4-Fluoro-3-(4-methylpiperazin-1-yl)benzaldehyde

1197193-26-2 4-(4-Methylpiperazin-1-yl)-2-(methylsulfonyl)benzaldehyde

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