3-[[4-(2-Fluorophenyl)-1-piperazinyl]methyl]-4-methoxy-benzaldehyde - CAS 933916-93-9
Catalog: |
BB065029 |
Product Name: |
3-[[4-(2-Fluorophenyl)-1-piperazinyl]methyl]-4-methoxy-benzaldehyde |
CAS: |
933916-93-9 |
Synonyms: |
3-[[4-(2-Fluorophenyl)-1-piperazinyl]methyl]-4-methoxy-benzaldehyde; 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxybenzaldehyde; 3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxybenzaldehyde |
IUPAC Name: | 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-methoxybenzaldehyde |
Description: | 3-[[4-(2-Fluorophenyl)-1-piperazinyl]methyl]-4-methoxy-benzaldehyde is a piperazine derivative used in the preparation of trans-Ned-19 (N388750). |
Molecular Weight: | 328.38 |
Molecular Formula: | C19H21FN2O2 |
Canonical SMILES: | COC1=C(C=C(C=C1)C=O)CN2CCN(CC2)C3=CC=CC=C3F |
InChI: | InChI=1S/C19H21FN2O2/c1-24-19-7-6-15(14-23)12-16(19)13-21-8-10-22(11-9-21)18-5-3-2-4-17(18)20/h2-7,12,14H,8-11,13H2,1H3 |
InChI Key: | UESWFMZACPWZCK-UHFFFAOYSA-N |
Solubility: | Chloromethane |
Appearance: | Brown Solid |
Complexity: | 401 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 328.15870608 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 328.15870608 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 32.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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