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651308-48-4 | Isoquinoline, 4-methyl-5-(4-piperidinyloxy)-
CAS No: 651308-48-4 Catalog No: AG006R54 MDL No:
Product Description
Catalog Number:
AG006R54
Chemical Name:
Isoquinoline, 4-methyl-5-(4-piperidinyloxy)-
CAS Number:
651308-48-4
Molecular Formula:
C15H18N2O
Molecular Weight:
242.3162
IUPAC Name:
4-methyl-5-piperidin-4-yloxyisoquinoline
InChI:
InChI=1S/C15H18N2O/c1-11-9-17-10-12-3-2-4-14(15(11)12)18-13-5-7-16-8-6-13/h2-4,9-10,13,16H,5-8H2,1H3
InChI Key:
HIKONSJUYGLINB-UHFFFAOYSA-N
SMILES:
Cc1cncc2c1c(ccc2)OC1CCNCC1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.322g/mol
Monoisotopic Mass:
242.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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