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200413-62-3 | Isoquinoline, 1,2,3,4-tetrahydro-2-(4-piperidinyl)-
CAS No: 200413-62-3 Catalog No: AG002CRC MDL No:MFCD06738859
Product Description
Catalog Number:
AG002CRC
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-(4-piperidinyl)-
CAS Number:
200413-62-3
Molecular Formula:
C14H20N2
Molecular Weight:
216.3220
MDL Number:
MFCD06738859
IUPAC Name:
2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C14H20N2/c1-2-4-13-11-16(10-7-12(13)3-1)14-5-8-15-9-6-14/h1-4,14-15H,5-11H2
InChI Key:
IKPZUTBWXLFVAL-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)N1CCc2c(C1)cccc2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.328g/mol
Monoisotopic Mass:
216.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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