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126921-48-0 | Isoquinoline, 1-[2-(1-piperidinyl)ethyl]-
CAS No: 126921-48-0 Catalog No: AG000TGK MDL No:
Product Description
Catalog Number:
AG000TGK
Chemical Name:
Isoquinoline, 1-[2-(1-piperidinyl)ethyl]-
CAS Number:
126921-48-0
Molecular Formula:
C16H20N2
Molecular Weight:
240.3434
IUPAC Name:
1-(2-piperidin-1-ylethyl)isoquinoline
InChI:
InChI=1S/C16H20N2/c1-4-11-18(12-5-1)13-9-16-15-7-3-2-6-14(15)8-10-17-16/h2-3,6-8,10H,1,4-5,9,11-13H2
InChI Key:
LOYAWKCTCLZNGA-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)CCc1nccc2c1cccc2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.35g/mol
Monoisotopic Mass:
240.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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