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119335-96-5

119335-96-5 | Benzenemethanol, 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propoxy]-

CAS No: 119335-96-5 Catalog No: AG000IMC MDL No:

Product Description

Catalog Number:
AG000IMC
Chemical Name:
Benzenemethanol, 3-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propoxy]-
CAS Number:
119335-96-5
Molecular Formula:
C21H28N2O3
Molecular Weight:
356.4586
IUPAC Name:
[3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanol
InChI:
InChI=1S/C21H28N2O3/c1-25-20-8-6-19(7-9-20)23-13-11-22(12-14-23)10-3-15-26-21-5-2-4-18(16-21)17-24/h2,4-9,16,24H,3,10-15,17H2,1H3
InChI Key:
MREKWADEJIYKDJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CCN(CC1)CCCOc1cccc(c1)CO

Properties

Complexity:
380  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.21g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
356.466g/mol
Monoisotopic Mass:
356.21g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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