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129716-87-6 | 1-Piperazineethanol, 4-(diphenylmethyl)-α-[(4-quinolinyloxy)methyl]-
CAS No: 129716-87-6 Catalog No: AG000TMM MDL No:
Product Description
Catalog Number:
AG000TMM
Chemical Name:
1-Piperazineethanol, 4-(diphenylmethyl)-α-[(4-quinolinyloxy)methyl]-
CAS Number:
129716-87-6
Molecular Formula:
C29H31N3O2
Molecular Weight:
453.5753
IUPAC Name:
1-(4-benzhydrylpiperazin-1-yl)-3-quinolin-4-yloxypropan-2-ol
InChI:
InChI=1S/C29H31N3O2/c33-25(22-34-28-15-16-30-27-14-8-7-13-26(27)28)21-31-17-19-32(20-18-31)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,25,29,33H,17-22H2
InChI Key:
AJMXTJYRMRUQNS-UHFFFAOYSA-N
SMILES:
OC(CN1CCN(CC1)C(c1ccccc1)c1ccccc1)COc1ccnc2c1cccc2
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.242g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
453.586g/mol
Monoisotopic Mass:
453.242g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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