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651308-68-8 | 4-Isoquinolinecarbonitrile, 5-[[1-(3-hydroxypropyl)-4-piperidinyl]oxy]-
CAS No: 651308-68-8 Catalog No: AG006R50 MDL No:
Product Description
Catalog Number:
AG006R50
Chemical Name:
4-Isoquinolinecarbonitrile, 5-[[1-(3-hydroxypropyl)-4-piperidinyl]oxy]-
CAS Number:
651308-68-8
Molecular Formula:
C18H21N3O2
Molecular Weight:
311.3782
IUPAC Name:
5-[1-(3-hydroxypropyl)piperidin-4-yl]oxyisoquinoline-4-carbonitrile
InChI:
InChI=1S/C18H21N3O2/c19-11-15-13-20-12-14-3-1-4-17(18(14)15)23-16-5-8-21(9-6-16)7-2-10-22/h1,3-4,12-13,16,22H,2,5-10H2
InChI Key:
XTLVLLIEEPZTSB-UHFFFAOYSA-N
SMILES:
OCCCN1CCC(CC1)Oc1cccc2c1c(C#N)cnc2
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.385g/mol
Monoisotopic Mass:
311.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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