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

Technical Data

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:	32.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9