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58012-94-5 | 2-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(pyridin-3-yl)ethanol
CAS No: 58012-94-5 Catalog No: AG01DJRK MDL No:
Product Description
Catalog Number:
AG01DJRK
Chemical Name:
2-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(pyridin-3-yl)ethanol
CAS Number:
58012-94-5
Molecular Formula:
C18H23N3O2
Molecular Weight:
313.3941
IUPAC Name:
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
InChI:
InChI=1S/C18H23N3O2/c1-23-18-7-3-2-6-16(18)21-11-9-20(10-12-21)14-17(22)15-5-4-8-19-13-15/h2-8,13,17,22H,9-12,14H2,1H3
InChI Key:
YMSKHVRNJNNIMI-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)CC(c1cccnc1)O
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.179g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.401g/mol
Monoisotopic Mass:
313.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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